data_2n9r_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 2n9r _Structure_validation_residue.Date_analyzed 2016-12-02 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.03 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.556 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.13 -174.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.426 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.472 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.28 -44.79 65.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.154 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.507 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -56.69 -40.65 75.95 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.234 -179.108 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 9.8 mmmm -65.94 -48.76 70.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.721 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 3' ' ' ILE . 2.0 mm -58.9 -43.67 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.63 -46.18 87.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.711 -1.131 . . . . 0.0 108.505 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.06 -35.19 68.15 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.4 mptp? -62.58 -45.03 94.78 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 7' ' ' ILE . 3.4 mm -59.77 -48.45 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.93 -44.86 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.742 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -47.88 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 9.8 mt -72.46 -38.64 68.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.523 0.678 . . . . 0.0 109.452 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.91 54.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.247 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.97 83.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.4 74.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.676 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 3.7 m-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.168 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.591 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.03 -168.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.671 -178.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.542 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.63 -45.89 66.85 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.598 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.558 HD22 HG13 ' A' ' 3' ' ' ILE . 2.1 p30 -58.47 -43.11 88.82 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.545 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' CD ' ' OD1' ' A' ' 5' ' ' ASN . 4.0 mmmm -58.73 -47.28 85.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.789 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.1 mm -56.65 -42.18 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.22 -42.34 94.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.21 59.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -66.29 -41.86 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mm -61.66 -39.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.986 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' ALA . 3.4 mm? -49.28 -44.13 43.67 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -44.21 73.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.563 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.71 -44.69 77.07 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.42 72.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.415 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -73.53 -41.31 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -46.82 81.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.587 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' N ' ' CD2' ' A' ' 18' ' ' PHE . 1.8 m-30 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.496 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -75.32 -172.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.354 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.545 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.33 -44.2 64.99 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.467 -178.212 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.496 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -58.99 -44.2 91.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HG2' HG12 ' A' ' 3' ' ' ILE . 10.2 mmmm -59.41 -46.88 87.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 3' ' ' ILE . 2.0 mm -59.25 -42.23 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -44.71 93.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.452 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.73 -32.61 58.86 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -69.76 -42.78 73.4 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 7' ' ' ILE . 4.6 mm -59.76 -49.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.98 -46.32 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.28 75.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.012 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 3.6 mt -72.39 -41.58 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.346 0.593 . . . . 0.0 109.402 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -33.0 57.58 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.419 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.96 -32.05 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.108 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.26 -47.5 23.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.022 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 1.5 m-30 . . . . . 0 C--O 1.235 0.298 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.833 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 120.196 0.046 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.626 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.75 -172.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 111.206 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.583 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.23 -45.17 65.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.413 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.449 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -58.22 -38.35 76.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.302 0.572 . . . . 0.0 109.908 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -66.45 -44.67 82.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.967 179.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 7' ' ' ILE . 2.0 mm -57.15 -39.84 69.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.42 -44.13 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.699 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -32.93 61.33 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.6 mtpp -68.34 -43.94 76.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mm -58.14 -44.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 12' ' ' LEU . 3.4 mm? -50.31 -44.92 54.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -61.02 -41.24 96.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 18.2 mt -68.78 -43.86 74.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.59 -36.72 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.065 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.36 63.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.5 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.816 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.096 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.521 HG13 HD22 ' A' ' 5' ' ' ASN . 0.1 OUTLIER -102.54 -170.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.602 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.6 -45.95 66.75 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.521 HD22 HG13 ' A' ' 3' ' ' ILE . 1.5 p30 -58.62 -43.32 89.6 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.571 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -59.53 -47.9 83.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 3' ' ' ILE . 1.5 mm -62.37 -39.27 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.33 -45.05 89.58 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ASN . . . -55.9 -32.82 59.54 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -63.12 -42.82 99.59 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -68.65 -43.81 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.057 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.51 -47.23 39.08 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -54.5 -40.48 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.991 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.0 mt -81.11 -39.78 25.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.896 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.46 -31.36 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.498 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -35.73 66.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.917 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.59 27.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.83 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.1 m-85 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.081 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.443 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.222 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.558 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -77.04 -169.95 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.131 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.578 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -53.45 -44.82 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.515 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.558 ' ND2' HG13 ' A' ' 3' ' ' ILE . 1.5 m-80 -56.8 -39.0 73.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.859 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 4.3 mmmm -67.23 -48.05 68.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 3' ' ' ILE . 1.6 mm -65.81 -35.73 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -38.03 66.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.006 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.14 41.89 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -69.7 -44.33 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 11' ' ' ILE . 3.6 mm -68.69 -42.42 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.8 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.3 mm? -48.67 -47.3 40.75 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.74 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -53.22 -40.69 64.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.071 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 mt -73.88 -51.41 16.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.642 0.734 . . . . 0.0 109.059 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.33 64.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.15 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.72 55.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.764 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.68 -33.44 55.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.073 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.561 -179.254 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HB3' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.511 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -87.48 -174.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.23 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.618 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.57 -44.74 66.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.048 -178.101 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.6 76.89 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.631 -179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.516 ' CB ' ' HB3' ' A' ' 2' ' ' LYS . 1.5 mmmm -66.22 -47.59 73.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 3' ' ' ILE . 1.7 mm -59.82 -40.58 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -46.51 87.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -31.71 60.15 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -45.38 93.48 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 11' ' ' ILE . 2.8 mm -62.92 -44.56 99.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' ALA . 2.8 mm? -50.67 -45.36 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -45.26 70.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.512 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.61 -45.5 65.16 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.07 65.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.82 -32.81 67.95 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.212 -0.903 . . . . 0.0 108.67 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.58 -46.95 62.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.748 179.347 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.596 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.76 -172.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.52 -178.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.551 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.98 -44.26 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.151 -178.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.526 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -57.89 -38.86 76.57 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -65.13 -48.33 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.921 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.91 -41.08 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.47 -40.63 75.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.014 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -33.17 53.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -39.99 95.86 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 177.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.9 mm -68.96 -46.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 16' ' ' ALA . 3.6 mm? -53.43 -41.53 66.14 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.446 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -52.39 -37.48 56.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.81 -47.7 44.2 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.64 -36.63 64.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.701 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.45 -42.51 68.1 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.88 87.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.849 178.903 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.522 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.291 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.567 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -90.79 -173.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.338 -179.13 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.55 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.38 -43.92 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.427 -178.131 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.465 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.44 -40.29 71.35 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.817 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 9.4 mmmm -67.52 -47.82 68.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.114 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 3' ' ' ILE . 1.5 mm -66.97 -32.53 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -52.13 -43.1 63.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.679 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -34.46 60.26 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 16.4 tptm -68.3 -45.49 72.86 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mm -60.35 -44.05 95.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.846 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -55.87 -46.49 78.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.021 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 HH21 ' HD2' ' A' ' 13' ' ' ARG . 7.4 mmm180 -55.28 -36.33 66.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 11.7 mt -69.29 -50.39 47.17 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.15 73.56 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.798 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 -43.17 59.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.097 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.57 -43.72 46.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.87 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 4.4 m-30 . . . . . 0 C--N 1.326 -0.42 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.761 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . 0.411 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.651 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -77.69 -173.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.305 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.582 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -53.25 -44.74 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.513 -1.221 . . . . 0.0 113.331 -177.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASN . . . . . 0.651 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.62 -39.13 70.41 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.291 -178.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 17.6 mmmt -66.64 -48.56 69.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.48 HD13 ' N ' ' A' ' 7' ' ' ILE . 1.2 mm -64.1 -41.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.249 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.403 ' HA ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -54.91 -43.67 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.91 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.0 56.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 7.4 mmtm -67.87 -40.8 83.55 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 11' ' ' ILE . 5.7 mm -60.24 -49.19 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.436 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.36 -44.26 65.14 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -41.44 68.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.684 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 9.0 mt -68.77 -45.71 70.68 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.17 66.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.072 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.54 64.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.868 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.03 86.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.69 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 9.0 m-30 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo . . . . . 0 N--CA 1.482 0.825 0 N-CA-C 109.248 -1.097 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.74 105.09 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.556 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.13 -174.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.426 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.472 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.28 -44.79 65.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.154 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.507 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -56.69 -40.65 75.95 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.234 -179.108 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 9.8 mmmm -65.94 -48.76 70.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.721 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.487 HG12 ' O ' ' A' ' 3' ' ' ILE . 2.0 mm -58.9 -43.67 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.63 -46.18 87.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.711 -1.131 . . . . 0.0 108.505 178.499 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.06 -35.19 68.15 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.507 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.4 mptp? -62.58 -45.03 94.78 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.402 HG12 ' O ' ' A' ' 7' ' ' ILE . 3.4 mm -59.77 -48.45 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -52.93 -44.86 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.742 179.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -47.88 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.507 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 9.8 mt -72.46 -38.64 68.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.523 0.678 . . . . 0.0 109.452 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -53.83 -32.91 54.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.247 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.97 83.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.4 74.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.676 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 3.7 m-30 -72.96 -46.86 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.168 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 9.9 mmmm -61.16 -53.26 59.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.612 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.501 0 O-C-N 119.942 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 N--CA 1.485 1.011 0 N-CA-C 110.287 -0.697 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.49 102.66 4.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.591 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.03 -168.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.671 -178.685 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.542 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.63 -45.89 66.85 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.598 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.558 HD22 HG13 ' A' ' 3' ' ' ILE . 2.1 p30 -58.47 -43.11 88.82 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.545 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' CD ' ' OD1' ' A' ' 5' ' ' ASN . 4.0 mmmm -58.73 -47.28 85.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.789 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.507 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.1 mm -56.65 -42.18 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.22 -42.34 94.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.21 59.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -66.29 -41.86 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 4.5 mm -61.66 -39.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.986 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.427 ' O ' ' N ' ' A' ' 16' ' ' ALA . 3.4 mm? -49.28 -44.13 43.67 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -44.21 73.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.563 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mp -67.71 -44.69 77.07 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.42 72.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.415 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -73.53 -41.31 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -46.82 81.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.587 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' N ' ' CD2' ' A' ' 18' ' ' PHE . 1.8 m-30 -89.38 -3.19 58.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm 63.82 -58.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.31 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.298 -1.672 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo . . . . . 0 N--CA 1.48 0.723 0 N-CA-C 108.625 -1.336 . . . . 0.0 108.625 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.16 105.07 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.496 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -75.32 -172.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.354 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.545 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.33 -44.2 64.99 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.467 -178.212 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.496 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -58.99 -44.2 91.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.402 ' HG2' HG12 ' A' ' 3' ' ' ILE . 10.2 mmmm -59.41 -46.88 87.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 3' ' ' ILE . 2.0 mm -59.25 -42.23 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.54 -44.71 93.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.452 178.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.73 -32.61 58.86 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -69.76 -42.78 73.4 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.425 HG12 ' O ' ' A' ' 7' ' ' ILE . 4.6 mm -59.76 -49.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -51.98 -46.32 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.28 75.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.012 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.409 ' HB3' ' CE2' ' A' ' 18' ' ' PHE . 3.6 mt -72.39 -41.58 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.346 0.593 . . . . 0.0 109.402 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -33.0 57.58 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.419 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.96 -32.05 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.108 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.26 -47.5 23.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.022 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 1.5 m-30 -83.68 1.38 42.79 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.833 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 57.88 50.05 11.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.302 -1.461 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo . . . . . 0 N--CA 1.481 0.739 0 N-CA-C 109.082 -1.161 . . . . 0.0 109.082 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.98 105.67 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.366 0.416 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.626 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.75 -172.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 111.206 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.583 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.23 -45.17 65.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.413 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.449 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -58.22 -38.35 76.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.302 0.572 . . . . 0.0 109.908 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.546 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -66.45 -44.67 82.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.967 179.766 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.422 HD13 HG22 ' A' ' 7' ' ' ILE . 2.0 mm -57.15 -39.84 69.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.42 -44.13 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.699 178.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -32.93 61.33 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.6 mtpp -68.34 -43.94 76.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 5.1 mm -58.14 -44.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.411 ' N ' HD21 ' A' ' 12' ' ' LEU . 3.4 mm? -50.31 -44.92 54.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -61.02 -41.24 96.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 18.2 mt -68.78 -43.86 74.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -54.59 -36.72 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.065 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.36 63.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.421 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.5 m-85 -90.42 4.14 51.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.816 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 54.83 43.5 29.9 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.469 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.411 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.298 -1.642 0 O-C-N 120.101 -1.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo . . . . . 0 N--CA 1.483 0.884 0 N-CA-C 108.37 -1.435 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.93 119.62 11.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.521 HG13 HD22 ' A' ' 5' ' ' ASN . 0.1 OUTLIER -102.54 -170.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.602 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.6 -45.95 66.75 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.521 HD22 HG13 ' A' ' 3' ' ' ILE . 1.5 p30 -58.62 -43.32 89.6 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.571 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.5 mmmm -59.53 -47.9 83.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.504 HG12 ' O ' ' A' ' 3' ' ' ILE . 1.5 mm -62.37 -39.27 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -64.33 -45.05 89.58 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.561 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 5' ' ' ASN . . . -55.9 -32.82 59.54 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -63.12 -42.82 99.59 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.512 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.1 mm -68.65 -43.81 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.057 179.395 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -48.51 -47.23 39.08 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -54.5 -40.48 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.991 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.596 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.0 mt -81.11 -39.78 25.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.896 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.46 -31.36 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.498 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -35.73 66.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.917 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.59 27.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.83 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.596 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.1 m-85 -82.25 3.14 28.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.081 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt 46.89 62.05 2.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.522 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.603 0 O-C-N 120.076 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo . . . . . 0 N--CA 1.48 0.698 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.443 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -71.62 111.72 7.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.487 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.558 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -77.04 -169.95 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.131 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.578 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -53.45 -44.82 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.515 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.558 ' ND2' HG13 ' A' ' 3' ' ' ILE . 1.5 m-80 -56.8 -39.0 73.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.859 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.427 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 4.3 mmmm -67.23 -48.05 68.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 3' ' ' ILE . 1.6 mm -65.81 -35.73 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.51 -38.03 66.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.006 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.14 41.89 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -69.7 -44.33 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 11' ' ' ILE . 3.6 mm -68.69 -42.42 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.8 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 12' ' ' LEU . 3.3 mm? -48.67 -47.3 40.75 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.74 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -53.22 -40.69 64.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.071 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 15.7 mt -73.88 -51.41 16.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.642 0.734 . . . . 0.0 109.059 179.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.33 64.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.15 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.72 55.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.764 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.68 -33.44 55.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.073 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -77.91 -21.24 51.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.561 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -100.23 -41.22 7.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.352 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.608 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo . . . . . 0 N--CA 1.477 0.556 0 N-CA-C 108.361 -1.438 . . . . 0.0 108.361 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.516 ' HB3' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -55.89 147.68 18.79 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.262 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.511 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -87.48 -174.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.23 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.618 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.57 -44.74 66.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.048 -178.101 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.6 76.89 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.631 -179.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.516 ' CB ' ' HB3' ' A' ' 2' ' ' LYS . 1.5 mmmm -66.22 -47.59 73.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.444 HG12 ' O ' ' A' ' 3' ' ' ILE . 1.7 mm -59.82 -40.58 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -62.82 -46.51 87.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -31.71 60.15 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -45.38 93.48 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.415 HD12 ' N ' ' A' ' 11' ' ' ILE . 2.8 mm -62.92 -44.56 99.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' ALA . 2.8 mm? -50.67 -45.36 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -45.26 70.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.512 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.61 -45.5 65.16 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.07 65.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.82 -32.81 67.95 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.212 -0.903 . . . . 0.0 108.67 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.58 -46.95 62.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -70.99 -39.31 72.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.748 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -129.12 68.87 1.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.519 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.586 0 O-C-N 119.979 -1.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.48 0.705 0 N-CA-C 109.56 -0.977 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.09 114.48 28.46 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.404 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.596 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.76 -172.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.52 -178.667 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.551 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.98 -44.26 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.151 -178.655 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.526 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -57.89 -38.86 76.57 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 7.2 mmmm -65.13 -48.33 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.921 179.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.1 mm -62.91 -41.08 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.47 -40.63 75.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.014 178.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -33.17 53.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -39.99 95.86 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 177.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.433 HD12 ' N ' ' A' ' 11' ' ' ILE . 3.9 mm -68.96 -46.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 16' ' ' ALA . 3.6 mm? -53.43 -41.53 66.14 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.446 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -52.39 -37.48 56.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 7.4 mt -72.81 -47.7 44.2 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.64 -36.63 64.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.701 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.45 -42.51 68.1 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.88 87.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -77.69 5.27 9.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.849 178.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm 66.05 -58.24 0.34 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.172 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.525 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo . . . . . 0 N--CA 1.482 0.805 0 N-CA-C 109.571 -0.973 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.522 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -52.37 125.56 16.49 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.901 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.567 ' H ' ' CD1' ' A' ' 3' ' ' ILE . 0.1 OUTLIER -90.79 -173.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.338 -179.13 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.55 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.38 -43.92 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.427 -178.131 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.465 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.44 -40.29 71.35 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.817 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 9.4 mmmm -67.52 -47.82 68.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.114 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.451 HG12 ' O ' ' A' ' 3' ' ' ILE . 1.5 mm -66.97 -32.53 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -52.13 -43.1 63.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.679 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -34.46 60.26 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 16.4 tptm -68.3 -45.49 72.86 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.7 mm -60.35 -44.05 95.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.846 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -55.87 -46.49 78.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.021 179.539 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 HH21 ' HD2' ' A' ' 13' ' ' ARG . 7.4 mmm180 -55.28 -36.33 66.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.491 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 11.7 mt -69.29 -50.39 47.17 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.15 73.56 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.798 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 -43.17 59.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.097 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.57 -43.72 46.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.87 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 4.4 m-30 -91.96 -43.47 9.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.761 -178.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.406 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 2.1 tppp? 52.33 -128.34 2.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.914 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 120.04 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 N--CA 1.482 0.853 0 N-CA-C 109.587 -0.967 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -77.51 120.99 23.25 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.124 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.651 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -77.69 -173.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.305 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.582 ' H ' ' CD2' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -53.25 -44.74 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.513 -1.221 . . . . 0.0 113.331 -177.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.651 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.62 -39.13 70.41 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.291 -178.82 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 17.6 mmmt -66.64 -48.56 69.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.48 HD13 ' N ' ' A' ' 7' ' ' ILE . 1.2 mm -64.1 -41.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.249 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' HA ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -54.91 -43.67 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.91 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.0 56.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 7.4 mmtm -67.87 -40.8 83.55 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.421 HD11 HG23 ' A' ' 11' ' ' ILE . 5.7 mm -60.24 -49.19 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.436 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.36 -44.26 65.14 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -41.44 68.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.684 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.558 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 9.0 mt -68.77 -45.71 70.68 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.17 66.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.072 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.54 64.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.868 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.03 86.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.69 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 9.0 m-30 -66.47 -16.61 64.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -24.43 57.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.0 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.62 0 O-C-N 120.178 -1.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.03 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.964 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.13 -174.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.426 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.28 -44.79 65.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.154 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -40.65 75.95 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.234 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 9.8 mmmm -65.94 -48.76 70.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.721 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.573 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -58.9 -43.67 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -58.63 -46.18 87.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.711 -1.131 . . . . 0.0 108.505 178.499 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.06 -35.19 68.15 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.4 mptp? -62.58 -45.03 94.78 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.498 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.4 mm -59.77 -48.45 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.5 mm? -52.93 -44.86 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.742 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -47.88 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 9.8 mt -72.46 -38.64 68.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.523 0.678 . . . . 0.0 109.452 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.91 54.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.247 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.97 83.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.4 74.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.676 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 3.7 m-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.168 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.949 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.03 -168.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.671 -178.685 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.63 -45.89 66.85 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.598 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.642 HD21 HG13 ' A' ' 3' ' ' ILE . 2.1 p30 -58.47 -43.11 88.82 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.545 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' CD ' ' OD1' ' A' ' 5' ' ' ASN . 4.0 mmmm -58.73 -47.28 85.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.789 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.1 mm -56.65 -42.18 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.514 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -60.22 -42.34 94.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.21 59.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -66.29 -41.86 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.468 HD13 ' N ' ' A' ' 11' ' ' ILE . 4.5 mm -61.66 -39.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.986 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm? -49.28 -44.13 43.67 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -44.21 73.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.563 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.9 mp -67.71 -44.69 77.07 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.42 72.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.415 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -73.53 -41.31 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -46.82 81.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.587 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CD2' ' N ' ' A' ' 18' ' ' PHE . 1.8 m-30 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.782 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -75.32 -172.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.354 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.748 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.33 -44.2 64.99 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.467 -178.212 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -44.2 91.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HG2' HG12 ' A' ' 3' ' ' ILE . 10.2 mmmm -59.41 -46.88 87.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -59.25 -42.23 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -59.54 -44.71 93.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.452 178.423 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.73 -32.61 58.86 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -69.76 -42.78 73.4 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.6 mm -59.76 -49.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.9 mm? -51.98 -46.32 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.28 75.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.012 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 11' ' ' ILE . 3.6 mt -72.39 -41.58 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.346 0.593 . . . . 0.0 109.402 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -33.0 57.58 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.419 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.96 -32.05 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.108 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.26 -47.5 23.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.022 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 1.5 m-30 . . . . . 0 C--O 1.235 0.298 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.833 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 120.196 0.046 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.951 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.75 -172.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 111.206 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.777 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.23 -45.17 65.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.413 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -38.35 76.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.302 0.572 . . . . 0.0 109.908 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -66.45 -44.67 82.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.967 179.766 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.519 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -57.15 -39.84 69.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -55.42 -44.13 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.699 178.237 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -32.93 61.33 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.6 mtpp -68.34 -43.94 76.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 11' ' ' ILE . 5.1 mm -58.14 -44.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.4 mm? -50.31 -44.92 54.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -61.02 -41.24 96.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 18.2 mt -68.78 -43.86 74.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.59 -36.72 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.065 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.36 63.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.5 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.816 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.096 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.879 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -102.54 -170.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.709 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.6 -45.95 66.75 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.6 HD21 HG13 ' A' ' 3' ' ' ILE . 1.5 p30 -58.62 -43.32 89.6 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.571 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.423 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 4.5 mmmm -59.53 -47.9 83.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.5 mm -62.37 -39.27 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.5 mm? -64.33 -45.05 89.58 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ASN . . . -55.9 -32.82 59.54 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -63.12 -42.82 99.59 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.512 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.542 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.1 mm -68.65 -43.81 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.057 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.8 mm? -48.51 -47.23 39.08 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -54.5 -40.48 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.991 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.627 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.0 mt -81.11 -39.78 25.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.896 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.46 -31.36 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.498 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -35.73 66.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.917 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.59 27.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.83 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.1 m-85 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.081 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HA ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.222 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.472 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.04 -169.95 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.131 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.746 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -53.45 -44.82 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.515 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.439 ' OD1' HG13 ' A' ' 3' ' ' ILE . 1.2 m120 -56.8 -39.0 73.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.859 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 4.3 mmmm -67.23 -48.05 68.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.6 mm -65.81 -35.73 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -54.51 -38.03 66.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.006 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.14 41.89 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -69.7 -44.33 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.464 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.6 mm -68.69 -42.42 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.8 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.3 mm? -48.67 -47.3 40.75 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.74 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -53.22 -40.69 64.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.071 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 14' ' ' LEU . 15.7 mt -73.88 -51.41 16.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.642 0.734 . . . . 0.0 109.059 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.33 64.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.15 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.72 55.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.764 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.68 -33.44 55.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.073 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.561 -179.254 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.548 ' HB3' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.887 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -87.48 -174.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.23 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.757 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.57 -44.74 66.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.048 -178.101 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -57.0 -40.6 76.89 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.631 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.548 ' CB ' ' HB3' ' A' ' 2' ' ' LYS . 1.5 mmmm -66.22 -47.59 73.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.599 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.7 mm -59.82 -40.58 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -62.82 -46.51 87.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 177.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -31.71 60.15 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -45.38 93.48 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 11' ' ' ILE . 2.8 mm -62.92 -44.56 99.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' ALA . 2.8 mm? -50.67 -45.36 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -45.26 70.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.512 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.61 -45.5 65.16 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.07 65.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.82 -32.81 67.95 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.212 -0.903 . . . . 0.0 108.67 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.58 -46.95 62.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.748 179.347 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.937 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.76 -172.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.52 -178.667 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.98 -44.26 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.151 -178.655 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.411 ' OD1' HG13 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -57.89 -38.86 76.57 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 7.2 mmmm -65.13 -48.33 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.921 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.58 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.1 mm -62.91 -41.08 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -56.47 -40.63 75.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.014 178.79 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -33.17 53.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -39.99 95.86 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 177.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.458 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.9 mm -68.96 -46.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.6 mm? -53.43 -41.53 66.14 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.446 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -52.39 -37.48 56.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 14' ' ' LEU . 7.4 mt -72.81 -47.7 44.2 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.64 -36.63 64.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.701 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.45 -42.51 68.1 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.88 87.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.849 178.903 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.411 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.291 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.982 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -90.79 -173.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.338 -179.13 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.707 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.38 -43.92 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.427 -178.131 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -40.29 71.35 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.817 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 9.4 mmmm -67.52 -47.82 68.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.114 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.5 mm -66.97 -32.53 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -52.13 -43.1 63.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.679 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -34.46 60.26 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 16.4 tptm -68.3 -45.49 72.86 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.494 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.7 mm -60.35 -44.05 95.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.846 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.0 mm? -55.87 -46.49 78.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.021 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.43 HH21 ' HD2' ' A' ' 13' ' ' ARG . 7.4 mmm180 -55.28 -36.33 66.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 11.7 mt -69.29 -50.39 47.17 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.15 73.56 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.798 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 -43.17 59.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.097 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.57 -43.72 46.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.87 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 4.4 m-30 . . . . . 0 C--N 1.326 -0.42 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.761 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.519 HG13 ' OD1' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -77.69 -173.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.305 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.77 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -53.25 -44.74 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.513 -1.221 . . . . 0.0 113.331 -177.796 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASN . . . . . 0.519 ' OD1' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.62 -39.13 70.41 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.291 -178.82 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 17.6 mmmt -66.64 -48.56 69.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.2 mm -64.1 -41.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.249 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -54.91 -43.67 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.91 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.0 56.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 6' ' ' LYS . 7.4 mmtm -67.87 -40.8 83.55 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 8' ' ' LEU . 5.7 mm -60.24 -49.19 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.436 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 12' ' ' LEU . 4.1 mm? -52.36 -44.26 65.14 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -41.44 68.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.684 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 9.0 mt -68.77 -45.71 70.68 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.17 66.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.072 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.54 64.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.868 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.03 86.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.69 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 9.0 m-30 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo . . . . . 0 N--CA 1.482 0.825 0 N-CA-C 109.248 -1.097 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' HG3' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -61.74 105.09 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.964 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.13 -174.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.426 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.28 -44.79 65.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.154 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.69 -40.65 75.95 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.234 -179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 9.8 mmmm -65.94 -48.76 70.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.721 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.573 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -58.9 -43.67 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -58.63 -46.18 87.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.711 -1.131 . . . . 0.0 108.505 178.499 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.06 -35.19 68.15 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.4 mptp? -62.58 -45.03 94.78 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.498 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.4 mm -59.77 -48.45 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.5 mm? -52.93 -44.86 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.742 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -47.88 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 9.8 mt -72.46 -38.64 68.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.523 0.678 . . . . 0.0 109.452 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -53.83 -32.91 54.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.247 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.97 83.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.4 74.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.676 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 3.7 m-30 -72.96 -46.86 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.168 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 9.9 mmmm -61.16 -53.26 59.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.612 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.501 0 O-C-N 119.942 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 N--CA 1.485 1.011 0 N-CA-C 110.287 -0.697 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.49 102.66 4.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.949 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.03 -168.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.671 -178.685 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.63 -45.89 66.85 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.598 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.642 HD21 HG13 ' A' ' 3' ' ' ILE . 2.1 p30 -58.47 -43.11 88.82 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.545 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' CD ' ' OD1' ' A' ' 5' ' ' ASN . 4.0 mmmm -58.73 -47.28 85.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.789 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.1 mm -56.65 -42.18 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -60.22 -42.34 94.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.21 59.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -66.29 -41.86 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.468 HD13 ' N ' ' A' ' 11' ' ' ILE . 4.5 mm -61.66 -39.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.986 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm? -49.28 -44.13 43.67 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -44.21 73.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.563 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.9 mp -67.71 -44.69 77.07 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.42 72.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.415 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -73.53 -41.31 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -46.82 81.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.587 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CD2' ' N ' ' A' ' 18' ' ' PHE . 1.8 m-30 -89.38 -3.19 58.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm 63.82 -58.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.31 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.476 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . . . . . . 0 C--N 1.298 -1.672 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo . . . . . 0 N--CA 1.48 0.723 0 N-CA-C 108.625 -1.336 . . . . 0.0 108.625 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.421 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -55.16 105.07 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.562 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.782 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -75.32 -172.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.354 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.748 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.33 -44.2 64.99 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.467 -178.212 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.99 -44.2 91.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HG2' HG12 ' A' ' 3' ' ' ILE . 10.2 mmmm -59.41 -46.88 87.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -59.25 -42.23 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -59.54 -44.71 93.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.452 178.423 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.73 -32.61 58.86 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -69.76 -42.78 73.4 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.6 mm -59.76 -49.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.9 mm? -51.98 -46.32 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.28 75.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.012 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 11' ' ' ILE . 3.6 mt -72.39 -41.58 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.346 0.593 . . . . 0.0 109.402 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -54.26 -33.0 57.58 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.419 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.96 -32.05 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.108 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.26 -47.5 23.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.022 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 1.5 m-30 -83.68 1.38 42.79 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.833 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 57.88 50.05 11.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.302 -1.461 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo . . . . . 0 N--CA 1.481 0.739 0 N-CA-C 109.082 -1.161 . . . . 0.0 109.082 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.98 105.67 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.366 0.416 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.951 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.75 -172.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 111.206 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.777 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.23 -45.17 65.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.413 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -38.35 76.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.302 0.572 . . . . 0.0 109.908 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -66.45 -44.67 82.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.967 179.766 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -57.15 -39.84 69.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -55.42 -44.13 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.699 178.237 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -32.93 61.33 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.6 mtpp -68.34 -43.94 76.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 11' ' ' ILE . 5.1 mm -58.14 -44.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.4 mm? -50.31 -44.92 54.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -61.02 -41.24 96.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 18.2 mt -68.78 -43.86 74.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -54.59 -36.72 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.065 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.36 63.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.5 m-85 -90.42 4.14 51.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.816 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 54.83 43.5 29.9 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.469 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.298 -1.642 0 O-C-N 120.101 -1.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo . . . . . 0 N--CA 1.483 0.884 0 N-CA-C 108.37 -1.435 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.479 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.93 119.62 11.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.879 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -102.54 -170.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.709 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.6 -45.95 66.75 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.6 HD21 HG13 ' A' ' 3' ' ' ILE . 1.5 p30 -58.62 -43.32 89.6 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.571 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 4.5 mmmm -59.53 -47.9 83.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.5 mm -62.37 -39.27 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.5 mm? -64.33 -45.05 89.58 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ASN . . . -55.9 -32.82 59.54 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -63.12 -42.82 99.59 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.512 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.542 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.1 mm -68.65 -43.81 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.057 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.8 mm? -48.51 -47.23 39.08 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -54.5 -40.48 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.991 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.627 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.0 mt -81.11 -39.78 25.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.896 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.46 -31.36 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.498 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -35.73 66.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.917 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.59 27.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.83 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.1 m-85 -82.25 3.14 28.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.081 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt 46.89 62.05 2.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.522 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.603 0 O-C-N 120.076 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo . . . . . 0 N--CA 1.48 0.698 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.524 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -71.62 111.72 7.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.487 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.472 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.04 -169.95 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.131 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.746 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -53.45 -44.82 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.515 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.439 ' OD1' HG13 ' A' ' 3' ' ' ILE . 1.2 m120 -56.8 -39.0 73.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.859 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 4.3 mmmm -67.23 -48.05 68.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.6 mm -65.81 -35.73 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -54.51 -38.03 66.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.006 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.14 41.89 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -69.7 -44.33 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.464 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.6 mm -68.69 -42.42 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.8 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.3 mm? -48.67 -47.3 40.75 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.74 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -53.22 -40.69 64.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.071 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 14' ' ' LEU . 15.7 mt -73.88 -51.41 16.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.642 0.734 . . . . 0.0 109.059 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.33 64.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.15 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -74.33 -43.72 55.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.764 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.68 -33.44 55.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.073 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -77.91 -21.24 51.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.561 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -100.23 -41.22 7.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.352 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.299 -1.608 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo . . . . . 0 N--CA 1.477 0.556 0 N-CA-C 108.361 -1.438 . . . . 0.0 108.361 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.548 ' HB3' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -55.89 147.68 18.79 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.262 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.887 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -87.48 -174.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.23 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.757 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.57 -44.74 66.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.048 -178.101 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -57.0 -40.6 76.89 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.631 -179.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.548 ' CB ' ' HB3' ' A' ' 2' ' ' LYS . 1.5 mmmm -66.22 -47.59 73.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.599 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.7 mm -59.82 -40.58 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -62.82 -46.51 87.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 177.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -31.71 60.15 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -45.38 93.48 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 11' ' ' ILE . 2.8 mm -62.92 -44.56 99.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' ALA . 2.8 mm? -50.67 -45.36 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -45.26 70.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.512 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.61 -45.5 65.16 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.07 65.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.82 -32.81 67.95 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.212 -0.903 . . . . 0.0 108.67 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.58 -46.95 62.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -70.99 -39.31 72.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.748 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -129.12 68.87 1.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.519 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.586 0 O-C-N 119.979 -1.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.48 0.705 0 N-CA-C 109.56 -0.977 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -101.09 114.48 28.46 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.404 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.937 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.76 -172.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.52 -178.667 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.98 -44.26 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.151 -178.655 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.411 ' OD1' HG13 ' A' ' 3' ' ' ILE . 0.4 OUTLIER -57.89 -38.86 76.57 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 7.2 mmmm -65.13 -48.33 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.921 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.58 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.1 mm -62.91 -41.08 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -56.47 -40.63 75.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.014 178.79 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -33.17 53.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -39.99 95.86 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 177.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.458 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.9 mm -68.96 -46.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.6 mm? -53.43 -41.53 66.14 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.446 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -52.39 -37.48 56.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 14' ' ' LEU . 7.4 mt -72.81 -47.7 44.2 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.64 -36.63 64.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.701 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.45 -42.51 68.1 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.88 87.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 5.5 m-85 -77.69 5.27 9.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.849 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm 66.05 -58.24 0.34 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.172 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . . . . . . 0 C--N 1.301 -1.525 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo . . . . . 0 N--CA 1.482 0.805 0 N-CA-C 109.571 -0.973 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.602 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -52.37 125.56 16.49 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.901 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.982 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -90.79 -173.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.338 -179.13 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.38 -43.92 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.427 -178.131 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.44 -40.29 71.35 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.817 -178.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 9.4 mmmm -67.52 -47.82 68.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.114 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.5 mm -66.97 -32.53 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -52.13 -43.1 63.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.679 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -34.46 60.26 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 16.4 tptm -68.3 -45.49 72.86 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.494 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.7 mm -60.35 -44.05 95.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.846 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.0 mm? -55.87 -46.49 78.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.021 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.43 HH21 ' HD2' ' A' ' 13' ' ' ARG . 7.4 mmm180 -55.28 -36.33 66.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 11.7 mt -69.29 -50.39 47.17 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.15 73.56 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.798 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 -43.17 59.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.097 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.57 -43.72 46.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.87 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 4.4 m-30 -91.96 -43.47 9.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.761 -178.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 2.1 tppp? 52.33 -128.34 2.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.914 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 120.04 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 N--CA 1.482 0.853 0 N-CA-C 109.587 -0.967 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -77.51 120.99 23.25 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.124 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.519 HG13 ' OD1' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -77.69 -173.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.305 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.77 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -53.25 -44.74 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.513 -1.221 . . . . 0.0 113.331 -177.796 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.519 ' OD1' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.62 -39.13 70.41 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.291 -178.82 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 17.6 mmmt -66.64 -48.56 69.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.2 mm -64.1 -41.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.249 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -54.91 -43.67 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.91 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.0 56.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 6' ' ' LYS . 7.4 mmtm -67.87 -40.8 83.55 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 8' ' ' LEU . 5.7 mm -60.24 -49.19 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.436 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 12' ' ' LEU . 4.1 mm? -52.36 -44.26 65.14 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -41.44 68.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.684 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 9.0 mt -68.77 -45.71 70.68 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.17 66.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.072 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.54 64.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.868 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.03 86.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.69 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 9.0 m-30 -66.47 -16.61 64.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -24.43 57.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.0 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.62 0 O-C-N 120.178 -1.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.03 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.964 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.13 -174.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.426 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.28 -44.79 65.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.154 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.54 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -56.69 -40.65 75.95 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.234 -179.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 9.8 mmmm -65.94 -48.76 70.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.721 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.573 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -58.9 -43.67 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -58.63 -46.18 87.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.711 -1.131 . . . . 0.0 108.505 178.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.06 -35.19 68.15 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.4 mptp? -62.58 -45.03 94.78 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.498 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.4 mm -59.77 -48.45 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.5 mm? -52.93 -44.86 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.742 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -47.88 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 9.8 mt -72.46 -38.64 68.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.523 0.678 . . . . 0.0 109.452 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.83 -32.91 54.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.247 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.97 83.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.4 74.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.676 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 3.7 m-30 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.168 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.457 -0.084 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.949 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.03 -168.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.671 -178.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.63 -45.89 66.85 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.598 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.642 HD21 HG13 ' A' ' 3' ' ' ILE . 2.1 p30 -58.47 -43.11 88.82 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.545 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.43 ' CD ' ' OD1' ' A' ' 5' ' ' ASN . 4.0 mmmm -58.73 -47.28 85.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.789 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.1 mm -56.65 -42.18 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.514 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -60.22 -42.34 94.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.21 59.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -66.29 -41.86 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.468 HD13 ' N ' ' A' ' 11' ' ' ILE . 4.5 mm -61.66 -39.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.986 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm? -49.28 -44.13 43.67 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -44.21 73.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.563 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.9 mp -67.71 -44.69 77.07 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.42 72.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.415 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -73.53 -41.31 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -46.82 81.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.587 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CD2' ' N ' ' A' ' 18' ' ' PHE . 1.8 m-30 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 -179.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.203 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.782 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -75.32 -172.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.354 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.748 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.33 -44.2 64.99 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.467 -178.212 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.534 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -58.99 -44.2 91.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HG2' HG12 ' A' ' 3' ' ' ILE . 10.2 mmmm -59.41 -46.88 87.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -59.25 -42.23 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -59.54 -44.71 93.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.452 178.423 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.73 -32.61 58.86 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -69.76 -42.78 73.4 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.6 mm -59.76 -49.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.9 mm? -51.98 -46.32 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.28 75.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.012 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 11' ' ' ILE . 3.6 mt -72.39 -41.58 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.346 0.593 . . . . 0.0 109.402 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.26 -33.0 57.58 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.419 179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.96 -32.05 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.108 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.26 -47.5 23.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.022 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 1.5 m-30 . . . . . 0 C--O 1.235 0.298 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.833 -179.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.533 0.324 0 CA-C-O 120.196 0.046 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.951 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.75 -172.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 111.206 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.777 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.23 -45.17 65.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.413 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.486 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -58.22 -38.35 76.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.302 0.572 . . . . 0.0 109.908 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -66.45 -44.67 82.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.967 179.766 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.519 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -57.15 -39.84 69.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -55.42 -44.13 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.699 178.237 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -32.93 61.33 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.6 mtpp -68.34 -43.94 76.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 11' ' ' ILE . 5.1 mm -58.14 -44.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.4 mm? -50.31 -44.92 54.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -61.02 -41.24 96.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 18.2 mt -68.78 -43.86 74.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.59 -36.72 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.065 179.048 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.36 63.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.5 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.816 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.096 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.879 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -102.54 -170.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.709 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.6 -45.95 66.75 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.6 HD21 HG13 ' A' ' 3' ' ' ILE . 1.5 p30 -58.62 -43.32 89.6 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.571 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.423 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 4.5 mmmm -59.53 -47.9 83.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.5 mm -62.37 -39.27 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.5 mm? -64.33 -45.05 89.58 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ASN . . . -55.9 -32.82 59.54 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -63.12 -42.82 99.59 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.542 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.1 mm -68.65 -43.81 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.057 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.8 mm? -48.51 -47.23 39.08 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -54.5 -40.48 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.991 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.627 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.0 mt -81.11 -39.78 25.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.896 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.46 -31.36 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.498 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -35.73 66.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.917 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.59 27.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.83 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.1 m-85 . . . . . 0 C--N 1.326 -0.416 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.081 179.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.439 ' HA ' ' HG3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.233 0.222 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.589 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -77.04 -169.95 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.131 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.746 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -53.45 -44.82 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.515 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.589 ' ND2' HG13 ' A' ' 3' ' ' ILE . 1.5 m-80 -56.8 -39.0 73.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.859 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 4.3 mmmm -67.23 -48.05 68.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.6 mm -65.81 -35.73 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -54.51 -38.03 66.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.006 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.14 41.89 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -69.7 -44.33 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.464 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.6 mm -68.69 -42.42 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.8 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.3 mm? -48.67 -47.3 40.75 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.74 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -53.22 -40.69 64.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.071 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 14' ' ' LEU . 15.7 mt -73.88 -51.41 16.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.642 0.734 . . . . 0.0 109.059 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.33 64.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.15 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -74.33 -43.72 55.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.764 179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.68 -33.44 55.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.073 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 . . . . . 0 C--N 1.326 -0.442 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.561 -179.254 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.548 ' HB3' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.887 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -87.48 -174.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.23 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.757 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.57 -44.74 66.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.048 -178.101 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.6 76.89 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.631 -179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.548 ' CB ' ' HB3' ' A' ' 2' ' ' LYS . 1.5 mmmm -66.22 -47.59 73.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.599 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.7 mm -59.82 -40.58 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -62.82 -46.51 87.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 177.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -31.71 60.15 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -45.38 93.48 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 11' ' ' ILE . 2.8 mm -62.92 -44.56 99.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' ALA . 2.8 mm? -50.67 -45.36 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -45.26 70.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.512 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.61 -45.5 65.16 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.07 65.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.82 -32.81 67.95 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.212 -0.903 . . . . 0.0 108.67 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.58 -46.95 62.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 . . . . . 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.748 179.347 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.937 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.76 -172.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.52 -178.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.98 -44.26 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.151 -178.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.561 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -57.89 -38.86 76.57 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 7.2 mmmm -65.13 -48.33 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.921 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.58 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.1 mm -62.91 -41.08 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -56.47 -40.63 75.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.014 178.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -33.17 53.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -39.99 95.86 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 177.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.458 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.9 mm -68.96 -46.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.505 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.6 mm? -53.43 -41.53 66.14 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.446 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -52.39 -37.48 56.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 14' ' ' LEU . 7.4 mt -72.81 -47.7 44.2 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.64 -36.63 64.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.701 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.45 -42.51 68.1 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.88 87.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.849 178.903 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.411 ' CD ' ' N ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.291 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.982 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -90.79 -173.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.338 -179.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.707 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.38 -43.92 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.427 -178.131 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.5 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.44 -40.29 71.35 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.817 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 9.4 mmmm -67.52 -47.82 68.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.114 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.5 mm -66.97 -32.53 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -52.13 -43.1 63.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.679 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -34.46 60.26 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 16.4 tptm -68.3 -45.49 72.86 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.494 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.7 mm -60.35 -44.05 95.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.846 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.0 mm? -55.87 -46.49 78.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.021 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.43 HH21 ' HD2' ' A' ' 13' ' ' ARG . 7.4 mmm180 -55.28 -36.33 66.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 11.7 mt -69.29 -50.39 47.17 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.15 73.56 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.798 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 -43.17 59.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.097 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.57 -43.72 46.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.87 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 4.4 m-30 . . . . . 0 C--N 1.326 -0.42 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.761 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER . . . . . 0 CA--C 1.521 -0.168 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.669 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -77.69 -173.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.77 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -53.25 -44.74 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.513 -1.221 . . . . 0.0 113.331 -177.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASN . . . . . 0.669 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.62 -39.13 70.41 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.291 -178.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 17.6 mmmt -66.64 -48.56 69.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.2 mm -64.1 -41.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.249 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -54.91 -43.67 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.91 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.0 56.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 6' ' ' LYS . 7.4 mmtm -67.87 -40.8 83.55 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 8' ' ' LEU . 5.7 mm -60.24 -49.19 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.436 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 12' ' ' LEU . 4.1 mm? -52.36 -44.26 65.14 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -41.44 68.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.684 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 9.0 mt -68.77 -45.71 70.68 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.17 66.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.072 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.54 64.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.868 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.03 86.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.69 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 9.0 m-30 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo . . . . . 0 N--CA 1.482 0.825 0 N-CA-C 109.248 -1.097 . . . . 0.0 109.248 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.459 ' HG3' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -61.74 105.09 0.5 Allowed 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 109.635 -0.506 . . . . 0.0 109.635 179.688 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.964 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.13 -174.81 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.426 -179.596 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.588 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.28 -44.79 65.17 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.154 -178.61 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.54 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -56.69 -40.65 75.95 Favored 'General case' 0 C--N 1.321 -0.639 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.234 -179.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 9.8 mmmm -65.94 -48.76 70.28 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.721 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.573 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -58.9 -43.67 89.01 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.517 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.636 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -58.63 -46.18 87.64 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 114.711 -1.131 . . . . 0.0 108.505 178.499 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.06 -35.19 68.15 Favored Glycine 0 N--CA 1.453 -0.21 0 N-CA-C 109.628 -1.389 . . . . 0.0 109.628 178.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 2.4 mptp? -62.58 -45.03 94.78 Favored 'General case' 0 N--CA 1.45 -0.438 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.498 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.4 mm -59.77 -48.45 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.518 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.5 mm? -52.93 -44.86 67.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.742 179.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.8 -47.88 76.35 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.923 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 9.8 mt -72.46 -38.64 68.21 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 121.523 0.678 . . . . 0.0 109.452 179.166 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 19' ' ' LYS . . . -53.83 -32.91 54.51 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.212 -0.903 . . . . 0.0 109.247 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.0 -36.97 83.09 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 178.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.32 -39.4 74.8 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.21 -0.905 . . . . 0.0 109.676 179.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.463 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 3.7 m-30 -72.96 -46.86 50.06 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.168 179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HG2' ' O ' ' A' ' 15' ' ' ALA . 9.9 mmmm -61.16 -53.26 59.26 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.612 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.301 -1.501 0 O-C-N 119.942 -1.724 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_exo . . . . . 0 N--CA 1.485 1.011 0 N-CA-C 110.287 -0.697 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.49 102.66 4.56 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 179.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.949 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.03 -168.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.671 -178.685 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.645 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.63 -45.89 66.85 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.598 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.642 HD21 HG13 ' A' ' 3' ' ' ILE . 2.1 p30 -58.47 -43.11 88.82 Favored 'General case' 0 C--N 1.324 -0.527 0 C-N-CA 119.915 -0.714 . . . . 0.0 109.545 -179.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.43 ' CD ' ' OD1' ' A' ' 5' ' ' ASN . 4.0 mmmm -58.73 -47.28 85.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.789 179.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.522 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.1 mm -56.65 -42.18 75.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 108.145 -1.058 . . . . 0.0 108.145 179.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -60.22 -42.34 94.98 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.214 -1.032 . . . . 0.0 108.214 178.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.07 -32.21 59.53 Favored Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.05 -1.22 . . . . 0.0 110.05 178.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 24.6 mmtp -66.29 -41.86 89.21 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.481 -0.563 . . . . 0.0 109.481 179.119 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.468 HD13 ' N ' ' A' ' 11' ' ' ILE . 4.5 mm -61.66 -39.55 83.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.737 -0.665 . . . . 0.0 109.986 179.751 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.513 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.4 mm? -49.28 -44.13 43.67 Favored 'General case' 0 CA--C 1.514 -0.419 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 179.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.72 -44.21 73.28 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.563 179.336 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.499 HD12 ' N ' ' A' ' 14' ' ' LEU . 6.9 mp -67.71 -44.69 77.07 Favored 'General case' 0 CA--C 1.511 -0.549 0 N-CA-C 108.14 -1.059 . . . . 0.0 108.14 178.382 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -57.48 -37.42 72.9 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 114.636 -1.165 . . . . 0.0 109.415 178.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.427 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -73.53 -41.31 63.18 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 178.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -46.82 81.4 Favored 'General case' 0 C--O 1.236 0.356 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.587 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.499 ' CD2' ' N ' ' A' ' 18' ' ' PHE . 1.8 m-30 -89.38 -3.19 58.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.551 -179.771 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.2 mmmm 63.82 -58.11 0.2 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.31 -179.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.476 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . . . . . . 0 C--N 1.298 -1.672 0 O-C-N 119.939 -1.726 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo . . . . . 0 N--CA 1.48 0.723 0 N-CA-C 108.625 -1.336 . . . . 0.0 108.625 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.421 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -55.16 105.07 0.14 Allowed 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 179.562 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.782 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -75.32 -172.54 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 C-N-CA 120.414 -0.515 . . . . 0.0 111.354 -178.774 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.748 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.33 -44.2 64.99 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.692 -0.685 . . . . 0.0 112.467 -178.212 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.534 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.6 OUTLIER -58.99 -44.2 91.58 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -179.668 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' HG2' HG12 ' A' ' 3' ' ' ILE . 10.2 mmmm -59.41 -46.88 87.46 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.824 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.622 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -59.25 -42.23 86.42 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.441 0 N-CA-C 107.684 -1.228 . . . . 0.0 107.684 178.435 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.437 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.3 OUTLIER -59.54 -44.71 93.15 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 114.99 -1.005 . . . . 0.0 108.452 178.423 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.73 -32.61 58.86 Favored Glycine 0 N--CA 1.451 -0.351 0 N-CA-C 109.666 -1.374 . . . . 0.0 109.666 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.4 OUTLIER -69.76 -42.78 73.4 Favored 'General case' 0 CA--C 1.516 -0.356 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 179.176 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.688 ' HA ' HD12 ' A' ' 14' ' ' LEU . 4.6 mm -59.76 -49.22 84.62 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 178.664 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.46 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.9 mm? -51.98 -46.32 64.81 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 178.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.19 -45.28 75.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.012 179.274 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.688 HD12 ' HA ' ' A' ' 11' ' ' ILE . 3.6 mt -72.39 -41.58 66.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.346 0.593 . . . . 0.0 109.402 179.394 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -54.26 -33.0 57.58 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 114.974 -1.012 . . . . 0.0 109.419 179.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -71.96 -32.05 66.9 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.108 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.26 -47.5 23.61 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.022 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.519 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 1.5 m-30 -83.68 1.38 42.79 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.833 -179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.1 mmmm 57.88 50.05 11.02 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.403 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.302 -1.461 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 16.9 Cg_exo . . . . . 0 N--CA 1.481 0.739 0 N-CA-C 109.082 -1.161 . . . . 0.0 109.082 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -36.98 105.67 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.324 0 O-C-N 123.366 0.416 . . . . 0.0 110.899 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.951 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -77.75 -172.38 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-O 121.072 0.463 . . . . 0.0 111.206 -179.484 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.777 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.23 -45.17 65.2 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 115.532 -0.758 . . . . 0.0 112.413 -178.521 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.486 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.3 OUTLIER -58.22 -38.35 76.62 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.302 0.572 . . . . 0.0 109.908 -179.772 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.558 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -66.45 -44.67 82.19 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.967 179.766 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' N ' HD13 ' A' ' 7' ' ' ILE . 2.0 mm -57.15 -39.84 69.48 Favored 'Isoleucine or valine' 0 C--O 1.233 0.228 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 178.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.42 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -55.42 -44.13 75.97 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.699 178.237 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -32.93 61.33 Favored Glycine 0 CA--C 1.523 0.553 0 N-CA-C 110.111 -1.196 . . . . 0.0 110.111 178.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 19.6 mtpp -68.34 -43.94 76.41 Favored 'General case' 0 CA--C 1.518 -0.285 0 N-CA-C 109.12 -0.696 . . . . 0.0 109.12 179.305 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 11' ' ' ILE . 5.1 mm -58.14 -44.19 87.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.273 179.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.496 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.4 mm? -50.31 -44.92 54.33 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 178.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.8 mmm180 -61.02 -41.24 96.17 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.87 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 18.2 mt -68.78 -43.86 74.84 Favored 'General case' 0 CA--C 1.515 -0.4 0 N-CA-C 108.195 -1.039 . . . . 0.0 108.195 178.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.508 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -54.59 -36.72 64.71 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.656 -1.156 . . . . 0.0 109.065 179.048 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.83 -42.36 63.89 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.0 -46.67 89.81 Favored 'General case' 0 N--CA 1.452 -0.362 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.01 179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.5 m-85 -90.42 4.14 51.8 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.816 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.0 mmmm 54.83 43.5 29.9 Favored 'General case' 0 N--CA 1.464 0.239 0 CA-C-N 116.538 -0.301 . . . . 0.0 110.469 -179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.508 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . . . . . . 0 C--N 1.298 -1.642 0 O-C-N 120.101 -1.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 15.4 Cg_exo . . . . . 0 N--CA 1.483 0.884 0 N-CA-C 108.37 -1.435 . . . . 0.0 108.37 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.479 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -64.93 119.62 11.06 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.873 -0.417 . . . . 0.0 109.873 179.558 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.879 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -102.54 -170.53 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.236 0 C-N-CA 120.583 -0.447 . . . . 0.0 110.282 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.709 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -52.6 -45.95 66.75 Favored 'General case' 0 N--CA 1.466 0.37 0 N-CA-C 112.926 0.713 . . . . 0.0 112.926 -177.933 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.6 HD21 HG13 ' A' ' 3' ' ' ILE . 1.5 p30 -58.62 -43.32 89.6 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 119.712 -0.795 . . . . 0.0 109.571 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.423 ' HG2' ' H ' ' A' ' 6' ' ' LYS . 4.5 mmmm -59.53 -47.9 83.73 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.649 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.5 mm -62.37 -39.27 83.64 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.248 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 178.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.452 ' HA ' HD13 ' A' ' 8' ' ' LEU . 1.5 mm? -64.33 -45.05 89.58 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.007 -1.109 . . . . 0.0 108.007 178.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 5' ' ' ASN . . . -55.9 -32.82 59.54 Favored Glycine 0 N--CA 1.451 -0.307 0 N-CA-C 109.278 -1.529 . . . . 0.0 109.278 178.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 7' ' ' ILE . 0.6 OUTLIER -63.12 -42.82 99.59 Favored 'General case' 0 N--CA 1.453 -0.302 0 N-CA-C 108.567 -0.901 . . . . 0.0 108.567 178.512 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.542 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.1 mm -68.65 -43.81 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.057 179.395 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.453 HD13 ' HA ' ' A' ' 12' ' ' LEU . 3.8 mm? -48.51 -47.23 39.08 Favored 'General case' 0 CA--C 1.52 -0.193 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.594 -179.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 34.7 mmm-85 -54.5 -40.48 68.57 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.991 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.627 ' HB3' ' CE1' ' A' ' 18' ' ' PHE . 4.0 mt -81.11 -39.78 25.08 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.017 -0.538 . . . . 0.0 109.896 179.25 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.46 -31.36 55.45 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.877 -0.601 . . . . 0.0 109.498 179.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.36 -35.73 66.0 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.318 -0.856 . . . . 0.0 108.917 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.28 -47.59 27.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.51 -0.768 . . . . 0.0 109.83 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.627 ' CE1' ' HB3' ' A' ' 14' ' ' LEU . 7.1 m-85 -82.25 3.14 28.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.081 179.761 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.1 mmtt 46.89 62.05 2.55 Favored 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.522 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.603 0 O-C-N 120.076 -1.64 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo . . . . . 0 N--CA 1.48 0.698 0 N-CA-C 109.622 -0.953 . . . . 0.0 109.622 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.524 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -71.62 111.72 7.15 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.487 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.589 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -77.04 -169.95 0.1 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.193 0 C-N-CA 120.847 -0.341 . . . . 0.0 111.131 -179.732 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.746 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -53.45 -44.82 69.2 Favored 'General case' 0 C--N 1.328 -0.343 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.515 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.589 ' ND2' HG13 ' A' ' 3' ' ' ILE . 1.5 m-80 -56.8 -39.0 73.32 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 120.547 -0.461 . . . . 0.0 109.859 -179.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HG3' ' HA ' ' A' ' 2' ' ' LYS . 4.3 mmmm -67.23 -48.05 68.97 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.802 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.595 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.6 mm -65.81 -35.73 75.85 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.312 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.556 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -54.51 -38.03 66.03 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.006 179.48 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.05 -32.14 41.89 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.307 -1.117 . . . . 0.0 110.307 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -69.7 -44.33 70.61 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 179.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.464 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.6 mm -68.69 -42.42 83.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.119 -0.946 . . . . 0.0 109.8 179.822 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 8' ' ' LEU . 3.3 mm? -48.67 -47.3 40.75 Favored 'General case' 0 CA--C 1.518 -0.262 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.74 -179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 mmm180 -53.22 -40.69 64.68 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.071 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 14' ' ' LEU . 15.7 mt -73.88 -51.41 16.28 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.642 0.734 . . . . 0.0 109.059 179.034 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -53.54 -39.33 64.63 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 114.691 -1.14 . . . . 0.0 110.15 179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.466 ' O ' ' N ' ' A' ' 20' ' ' NH2 . . . -74.33 -43.72 55.47 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.764 179.654 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.68 -33.44 55.36 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.608 -0.724 . . . . 0.0 111.073 -179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -77.91 -21.24 51.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.561 -179.254 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -100.23 -41.22 7.18 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.352 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.466 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.299 -1.608 0 O-C-N 120.109 -1.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo . . . . . 0 N--CA 1.477 0.556 0 N-CA-C 108.361 -1.438 . . . . 0.0 108.361 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.548 ' HB3' ' CB ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -55.89 147.68 18.79 Favored 'General case' 0 C--N 1.331 -0.218 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.887 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -87.48 -174.78 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 C-N-CA 120.355 -0.538 . . . . 0.0 111.23 -179.166 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.757 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.57 -44.74 66.09 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.226 -0.897 . . . . 0.0 113.048 -178.101 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -57.0 -40.6 76.89 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.227 -0.589 . . . . 0.0 109.631 -179.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.548 ' CB ' ' HB3' ' A' ' 2' ' ' LYS . 1.5 mmmm -66.22 -47.59 73.35 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.301 179.438 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.599 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.7 mm -59.82 -40.58 83.05 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.424 0 N-CA-C 107.944 -1.132 . . . . 0.0 107.944 178.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.459 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.9 OUTLIER -62.82 -46.51 87.62 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.834 -1.173 . . . . 0.0 107.834 177.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.43 -31.71 60.15 Favored Glycine 0 CA--C 1.521 0.443 0 N-CA-C 109.543 -1.423 . . . . 0.0 109.543 178.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.33 -45.38 93.48 Favored 'General case' 0 CA--C 1.519 -0.238 0 N-CA-C 108.871 -0.789 . . . . 0.0 108.871 178.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 HD13 ' N ' ' A' ' 11' ' ' ILE . 2.8 mm -62.92 -44.56 99.69 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 N-CA-C 108.855 -0.794 . . . . 0.0 108.855 178.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.494 ' O ' ' N ' ' A' ' 16' ' ' ALA . 2.8 mm? -50.67 -45.36 58.05 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 179.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.63 -45.26 70.1 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.769 -0.65 . . . . 0.0 109.512 179.209 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 13.5 mt -70.61 -45.5 65.16 Favored 'General case' 0 CA--C 1.516 -0.337 0 N-CA-C 108.52 -0.919 . . . . 0.0 108.52 178.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.01 -36.07 65.07 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 114.78 -1.1 . . . . 0.0 109.002 178.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.494 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.82 -32.81 67.95 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-N 115.212 -0.903 . . . . 0.0 108.67 178.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.58 -46.95 62.5 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 108.916 -0.772 . . . . 0.0 108.916 178.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -70.99 -39.31 72.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.56 -0.746 . . . . 0.0 109.748 179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.2 mmmm -129.12 68.87 1.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.519 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.412 ' N ' ' O ' ' A' ' 16' ' ' ALA . . . . . . . . 0 C--N 1.3 -1.586 0 O-C-N 119.979 -1.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo . . . . . 0 N--CA 1.48 0.705 0 N-CA-C 109.56 -0.977 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.416 ' HB3' ' HB2' ' A' ' 6' ' ' LYS . 0.8 OUTLIER -101.09 114.48 28.46 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 179.404 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.937 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -81.76 -172.93 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.52 -178.667 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.691 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.98 -44.26 67.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.285 -0.871 . . . . 0.0 112.151 -178.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.561 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.5 OUTLIER -57.89 -38.86 76.57 Favored 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.416 ' HB2' ' HB3' ' A' ' 2' ' ' LYS . 7.2 mmmm -65.13 -48.33 73.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.434 . . . . 0.0 109.921 179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.58 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.1 mm -62.91 -41.08 91.36 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.409 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 178.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 8' ' ' LEU . 0.6 OUTLIER -56.47 -40.63 75.21 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.397 -0.819 . . . . 0.0 109.014 178.79 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.51 -33.17 53.74 Favored Glycine 0 CA--C 1.521 0.427 0 N-CA-C 109.764 -1.334 . . . . 0.0 109.764 179.205 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -39.99 95.86 Favored 'General case' 0 CA--C 1.52 -0.208 0 N-CA-C 108.561 -0.903 . . . . 0.0 108.561 177.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.458 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.9 mm -68.96 -46.26 79.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.505 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.6 mm? -53.43 -41.53 66.14 Favored 'General case' 0 CA--C 1.516 -0.336 0 CA-C-N 115.718 -0.674 . . . . 0.0 109.446 178.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -52.39 -37.48 56.56 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' N ' HD23 ' A' ' 14' ' ' LEU . 7.4 mt -72.81 -47.7 44.2 Favored 'General case' 0 CA--C 1.514 -0.404 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.64 -36.63 64.76 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 114.939 -1.028 . . . . 0.0 108.701 178.233 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 12' ' ' LEU . . . -71.45 -42.51 68.1 Favored 'General case' 0 CA--C 1.513 -0.453 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.07 -46.88 87.13 Favored 'General case' 0 N--CA 1.451 -0.392 0 N-CA-C 108.637 -0.875 . . . . 0.0 108.637 178.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' O ' ' N ' ' A' ' 20' ' ' NH2 . 5.5 m-85 -77.69 5.27 9.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.416 -0.811 . . . . 0.0 109.849 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 mmmm 66.05 -58.24 0.34 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.172 -179.284 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . 0.439 ' N ' ' O ' ' A' ' 18' ' ' PHE . . . . . . . . 0 C--N 1.301 -1.525 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_exo . . . . . 0 N--CA 1.482 0.805 0 N-CA-C 109.571 -0.973 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.602 ' CD ' ' H ' ' A' ' 2' ' ' LYS . 0.0 OUTLIER -52.37 125.56 16.49 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.247 -0.433 . . . . 0.0 109.901 179.666 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.982 ' H ' HD13 ' A' ' 3' ' ' ILE . 0.1 OUTLIER -90.79 -173.58 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.338 -179.13 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.0 OUTLIER -52.38 -43.92 65.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.427 -178.131 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.5 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.44 -40.29 71.35 Favored 'General case' 0 C--N 1.321 -0.666 0 C-N-CA 120.433 -0.507 . . . . 0.0 109.817 -178.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' N ' ' HD2' ' A' ' 6' ' ' LYS . 9.4 mmmm -67.52 -47.82 68.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.114 179.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.628 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.5 mm -66.97 -32.53 58.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 179.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -52.13 -43.1 63.83 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.679 -179.303 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.57 -34.46 60.26 Favored Glycine 0 CA--C 1.523 0.544 0 N-CA-C 110.46 -1.056 . . . . 0.0 110.46 179.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 16.4 tptm -68.3 -45.49 72.86 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 178.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.494 HD13 ' N ' ' A' ' 11' ' ' ILE . 3.7 mm -60.35 -44.05 95.1 Favored 'Isoleucine or valine' 0 C--O 1.238 0.479 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.846 179.495 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.484 ' HA ' HD13 ' A' ' 12' ' ' LEU . 3.0 mm? -55.87 -46.49 78.24 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.021 179.539 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.43 HH21 ' HD2' ' A' ' 13' ' ' ARG . 7.4 mmm180 -55.28 -36.33 66.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.626 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.505 ' HG ' ' O ' ' A' ' 10' ' ' LYS . 11.7 mt -69.29 -50.39 47.17 Favored 'General case' 0 CA--C 1.51 -0.576 0 N-CA-C 108.381 -0.97 . . . . 0.0 108.381 178.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -58.6 -36.15 73.56 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-N 114.513 -1.221 . . . . 0.0 109.798 179.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -73.94 -43.17 59.13 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.097 179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.57 -43.72 46.95 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.702 -0.681 . . . . 0.0 111.87 -179.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' A' ' 18' ' ' PHE . 4.4 m-30 -91.96 -43.47 9.43 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 120.758 -0.377 . . . . 0.0 111.761 -178.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' LYS . 2.1 tppp? 52.33 -128.34 2.39 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.914 -179.319 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.607 0 O-C-N 120.04 -1.663 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo . . . . . 0 N--CA 1.482 0.853 0 N-CA-C 109.587 -0.967 . . . . 0.0 109.587 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.411 ' N ' ' CD ' ' A' ' 2' ' ' LYS . 0.7 OUTLIER -77.51 120.99 23.25 Favored 'General case' 0 CA--C 1.521 -0.168 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.124 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.669 HG13 ' ND2' ' A' ' 5' ' ' ASN . 0.3 OUTLIER -77.69 -173.08 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 -177.305 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.77 ' H ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -53.25 -44.74 68.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 114.513 -1.221 . . . . 0.0 113.331 -177.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.669 ' ND2' HG13 ' A' ' 3' ' ' ILE . 0.9 OUTLIER -55.62 -39.13 70.41 Favored 'General case' 0 C--N 1.321 -0.65 0 C-N-CA 119.691 -0.804 . . . . 0.0 109.291 -178.82 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' HD2' ' N ' ' A' ' 6' ' ' LYS . 17.6 mmmt -66.64 -48.56 69.02 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.173 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.511 ' N ' HD13 ' A' ' 7' ' ' ILE . 1.2 mm -64.1 -41.55 92.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.249 179.018 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.422 ' HA ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -54.91 -43.67 73.48 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.91 179.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.21 -32.0 56.83 Favored Glycine 0 CA--C 1.523 0.554 0 N-CA-C 110.309 -1.116 . . . . 0.0 110.309 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' NZ ' ' O ' ' A' ' 6' ' ' LYS . 7.4 mmtm -67.87 -40.8 83.55 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 179.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.422 HG12 ' HA ' ' A' ' 8' ' ' LEU . 5.7 mm -60.24 -49.19 85.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.436 179.641 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' HA ' HD13 ' A' ' 12' ' ' LEU . 4.1 mm? -52.36 -44.26 65.14 Favored 'General case' 0 CA--C 1.52 -0.204 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 -41.44 68.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.684 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.574 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 9.0 mt -68.77 -45.71 70.68 Favored 'General case' 0 CA--C 1.511 -0.532 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -54.75 -38.17 66.85 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.591 -1.186 . . . . 0.0 109.072 178.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -72.71 -42.54 64.05 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.1 -0.954 . . . . 0.0 108.868 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.18 -47.03 86.82 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.359 -0.837 . . . . 0.0 109.69 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.574 ' CZ ' ' HB3' ' A' ' 14' ' ' LEU . 9.0 m-30 -66.47 -16.61 64.25 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.467 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.45 -24.43 57.0 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.0 179.759 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.299 -1.62 0 O-C-N 120.178 -1.576 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_