data_1jau_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 1jau _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 8' ' ' TRP . . . . . 0.535 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.745 0.307 . . . . 0.0 110.638 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.38 -27.71 67.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -16.27 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.535 HG13 ' HA ' ' A' ' 8' ' ' TRP . 31.8 mt -72.58 -31.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.75 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -71.31 2.32 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -93.26 -46.76 7.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -92.13 -38.1 12.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD21 HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.49 -34.78 74.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.94 -26.7 66.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.525 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -25.3 34.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.992 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 14' ' ' TRP . 62.8 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.011 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.533 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.73 0.3 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -28.35 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.357 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -88.41 -3.89 58.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.118 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.566 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.4 mt -86.71 -29.3 5.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.859 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.33 1.66 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -91.65 -43.57 9.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.5 -38.92 9.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.928 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.804 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.09 -36.45 77.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.508 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.52 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.13 -27.49 68.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 179.098 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -29.41 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.162 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.804 HD13 ' HA ' ' A' ' 15' ' ' LEU . 41.8 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.179 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.527 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.786 0.327 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -22.84 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.258 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -14.09 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.298 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.549 HG21 ' HB3' ' A' ' 15' ' ' LEU . 28.5 mt -75.98 -29.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.75 0.56 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -91.38 -45.12 8.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.222 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.539 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.32 -37.49 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.032 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.549 ' HB3' HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.47 -36.13 77.54 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.55 -27.01 68.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.465 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -33.42 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.166 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 15' ' ' LEU . 21.5 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.074 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.517 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.912 0.387 . . . . 0.0 110.605 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.14 -27.88 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.17 -12.85 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.642 HG21 HD22 ' A' ' 15' ' ' LEU . 22.2 mt -76.43 -32.98 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.984 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.93 -2.56 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.71 -50.64 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.513 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.6 p-90 -89.03 -40.89 12.67 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -65.44 -33.39 75.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.915 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -24.64 60.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.144 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 14' ' ' TRP . 52.5 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.996 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.561 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -25.25 67.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.419 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -85.9 -9.11 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.294 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.561 HG13 ' HA ' ' A' ' 8' ' ' TRP . 22.5 mt -81.92 -30.28 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.21 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.3 1.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.406 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 11' ' ' ILE . 2.3 m-80 -93.3 -47.8 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.211 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.547 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -91.72 -37.95 12.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.68 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.14 -34.97 74.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.444 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.93 -25.29 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.601 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -23.24 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.197 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 15' ' ' LEU . 59.5 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.043 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.519 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.769 0.319 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.2 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.83 -17.1 42.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.558 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.519 HG13 ' HA ' ' A' ' 8' ' ' TRP . 28.3 mt -73.3 -32.9 39.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.07 4.03 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.023 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' A' ' 11' ' ' ILE . 37.0 m-80 -93.87 -45.6 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.516 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -94.61 -40.39 9.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.774 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -59.08 -37.52 77.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.33 -30.05 71.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.249 0.547 . . . . 0.0 109.699 178.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -30.13 51.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.195 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' TRP . 49.0 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.539 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.874 0.369 . . . . 0.0 110.692 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -29.33 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -16.74 42.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 8' ' ' TRP . 24.2 mt -73.19 -30.67 31.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -68.58 2.11 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.955 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -93.84 -49.22 5.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.524 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -89.63 -37.11 14.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.999 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.62 -36.58 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.35 -25.67 68.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.01 -29.73 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.094 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.049 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.525 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.739 0.304 . . . . 0.0 110.756 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -9.26 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.141 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.575 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 25.0 mt -79.8 -29.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.842 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -65.52 -2.97 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.006 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -87.67 -47.61 8.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.575 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.7 p-90 -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.696 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -55.07 -35.71 64.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.524 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.6 -36.72 85.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.567 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.96 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.943 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' HA ' ' A' ' 15' ' ' LEU . 21.8 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.954 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -24.41 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.326 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -89.75 -7.99 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.16 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.678 HG21 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -84.96 -29.21 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.974 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.68 -0.85 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 11' ' ' ILE . 3.7 m-80 -91.2 -44.37 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.6 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.47 -39.76 9.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.03 -36.28 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.325 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.28 -29.55 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.629 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -33.02 53.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 15' ' ' LEU . 38.7 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.213 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.545 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.863 0.364 . . . . 0.0 110.667 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -62.02 -22.53 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -19.58 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.679 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.545 HG13 ' HA ' ' A' ' 8' ' ' TRP . 21.2 mt -70.49 -33.57 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.53 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -66.27 -1.05 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -91.51 -45.84 8.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.537 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.37 -40.38 9.97 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.1 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -58.65 -37.62 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.53 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.03 -28.7 69.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.616 178.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -27.31 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.127 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' TRP . 56.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.173 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.531 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -64.84 -21.97 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.41 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -17.79 33.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.231 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.57 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 18.2 mt -74.35 -31.36 28.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -67.49 1.83 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.26 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 11' ' ' ILE . 70.4 m-80 -94.28 -45.74 7.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.57 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -94.41 -40.84 9.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.823 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.3 -36.08 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.396 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -30.12 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 109.646 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.03 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.078 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 15' ' ' LEU . 42.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.795 0.331 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -22.03 66.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -94.41 -5.3 46.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.45 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.606 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 18.8 mt -86.47 -30.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -64.71 -3.02 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -88.21 -42.08 12.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.239 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.606 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -99.44 -41.42 7.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.551 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.34 -35.72 67.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.931 0.396 . . . . 0.0 109.937 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.516 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.95 -32.83 74.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.555 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -33.26 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.292 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 14' ' ' TRP . 55.0 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.522 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.765 0.316 . . . . 0.0 110.7 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.0 -21.6 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.213 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.547 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 29.1 mt -74.49 -31.09 26.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.663 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -68.17 0.7 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -90.71 -44.39 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.547 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.91 -39.11 9.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.938 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.736 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.21 -35.71 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.69 -29.48 70.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -25.35 51.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.8 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.736 HD13 ' HA ' ' A' ' 15' ' ' LEU . 48.8 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.073 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.54 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 110.638 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.41 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -12.13 31.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.54 HG13 ' HA ' ' A' ' 8' ' ' TRP . 20.0 mt -78.41 -30.24 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.83 -2.02 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.14 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -90.94 -48.06 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.345 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.518 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.4 p-90 -93.67 -36.99 12.07 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.519 0.199 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.3 -35.01 74.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -66.31 -24.06 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.616 179.026 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -80.24 -30.46 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 21.4 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.533 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.18 -28.18 69.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -85.74 -10.69 55.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.313 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.557 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -80.81 -28.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.67 0.61 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.85 -43.75 8.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.427 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.557 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.07 -35.75 10.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.607 0.241 . . . . 0.0 111.098 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.807 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -62.14 -33.42 74.46 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -22.78 66.2 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.83 -30.04 24.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.025 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.9 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.543 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.731 0.3 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -66.03 -23.37 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.319 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -90.08 -11.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.315 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.595 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 16.6 mt -82.43 -28.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -65.11 -1.31 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.178 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 11' ' ' ILE . 28.3 m-80 -91.38 -46.16 8.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.258 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.65 -41.1 9.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.98 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.716 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.82 -36.01 71.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -62.94 -29.87 71.13 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -34.64 55.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' A' ' 15' ' ' LEU . 35.9 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.544 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.3 p-90 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -24.41 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.354 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -86.09 -10.76 54.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.585 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.7 mt -81.71 -29.21 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -67.35 1.82 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 11' ' ' ILE . 67.4 m-80 -94.26 -46.21 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.5 -39.8 10.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.449 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.84 -27.4 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.769 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -28.07 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.178 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 33.1 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.508 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.859 0.361 . . . . 0.0 110.129 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.83 -22.31 66.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -93.96 -17.08 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.936 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.508 HG13 ' HA ' ' A' ' 8' ' ' TRP . 31.3 mt -72.05 -30.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.555 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.2 -2.67 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.988 179.423 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.33 -49.46 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.497 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -91.77 -41.1 10.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.54 -35.39 68.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.57 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.555 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.64 -35.35 80.75 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.734 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -33.95 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 15' ' ' LEU . 18.6 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.842 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.501 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.543 0.211 . . . . 0.0 111.482 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.82 -28.09 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.92 -8.57 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.522 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 32.8 mt -80.32 -30.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.19 -5.46 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -87.09 -50.39 6.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.484 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.522 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -89.98 -39.17 13.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.16 -179.71 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.47 -34.0 70.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.22 -33.76 76.54 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.616 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -32.17 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.011 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.848 179.714 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.545 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.8 p-90 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.677 0.275 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -24.54 67.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.946 0.403 . . . . 0.0 110.21 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -89.96 -6.37 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.707 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.588 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 24.1 mt -86.08 -26.85 6.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.87 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -64.48 -2.43 2.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.312 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -88.58 -42.94 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.588 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -99.7 -39.55 8.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.054 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.54 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.75 -33.96 69.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.99 -30.63 71.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -25.0 48.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.1 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.632 0.253 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 0.0 110.292 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.71 -16.14 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.86 179.267 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.553 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 25.5 mt -77.07 -26.62 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.914 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -62.84 -6.15 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 179.794 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.15 -48.09 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.511 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.553 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.62 -41.86 9.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.262 -179.733 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.468 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -54.74 -34.0 61.9 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.497 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.47 -37.55 87.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 178.903 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -29.6 68.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.034 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 14' ' ' TRP . 31.1 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.919 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.541 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.329 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -65.36 -22.71 66.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.167 179.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.12 -16.82 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.355 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 15' ' ' LEU . 17.2 mt -75.43 -32.45 25.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.042 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -64.8 -2.05 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.39 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.33 -45.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.58 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.12 -41.36 9.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.587 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.18 -37.9 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.83 -32.1 73.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.269 0.557 . . . . 0.0 109.747 179.071 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -30.51 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 15' ' ' LEU . 35.7 mt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.498 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.6 p-90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.582 0.229 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -24.08 67.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.401 . . . . 0.0 110.245 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -90.3 -10.24 44.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.399 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.725 HG23 ' HB3' ' A' ' 15' ' ' LEU . 22.0 mt -83.44 -28.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -65.78 -0.83 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.282 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' A' ' 11' ' ' ILE . 47.9 m-20 -92.86 -46.32 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.256 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.571 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -94.82 -38.84 10.56 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.725 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.32 -34.95 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.409 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.25 -23.87 66.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.62 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -25.91 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.103 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.541 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -25.39 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -93.14 -9.63 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 15' ' ' LEU . 23.3 mt -82.08 -29.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.25 -5.31 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.26 179.745 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.46 -45.31 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -97.7 -39.68 8.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.202 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.694 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.15 -32.74 64.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.414 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -64.7 -36.66 85.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.627 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.402 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -66.9 -26.4 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.905 179.051 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mt . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.163 179.943 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.523 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.751 0.31 . . . . 0.0 110.556 . . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -24.53 67.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 110.133 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.42 -14.65 45.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.004 179.249 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 8' ' ' TRP . 32.6 mt -75.27 -31.31 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.774 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -70.89 1.91 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.16 -44.96 9.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.975 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.489 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -96.48 -38.82 9.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.717 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.14 -34.73 72.41 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.34 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.527 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.96 -36.28 83.89 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.692 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -31.72 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.442 178.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.717 HD11 ' HA ' ' A' ' 15' ' ' LEU . 37.2 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.852 179.621 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.523 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.745 0.307 . . . . 0.0 110.775 . . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -24.9 66.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.59 -19.05 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.704 HG21 HD23 ' A' ' 15' ' ' LEU . 28.4 mt -70.13 -35.93 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.027 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -67.18 0.63 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.335 179.788 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 2.7 m-80 -92.52 -50.68 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.515 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 1.9 p-90 -88.31 -39.42 14.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.053 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.704 HD23 HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -59.93 -37.17 78.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.567 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.23 -29.41 69.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.672 179.075 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -30.71 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.146 179.492 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 21.3 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.979 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.469 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.63 0.252 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -26.12 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.052 0.453 . . . . 0.0 109.953 179.513 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -89.97 15.92 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.978 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 15' ' ' LEU . 14.8 mt -110.53 -28.15 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -61.45 -5.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.68 7.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.25 -179.825 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.599 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 2.5 p-90 -89.74 -41.59 11.8 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.244 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.639 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.19 -35.4 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.096 179.664 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -67.09 -32.13 73.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.153 0.501 . . . . 0.0 109.718 179.012 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -30.13 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 15' ' ' LEU . 47.3 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.642 0.258 . . . . 0.0 110.596 . . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -25.34 68.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.933 0.397 . . . . 0.0 110.137 179.57 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -17.35 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.845 179.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.55 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.7 mt -74.45 -32.48 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.718 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.64 3.72 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 11' ' ' ILE . 36.9 m-80 -94.26 -45.57 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.55 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.33 -41.18 9.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.589 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.01 -37.56 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.372 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -29.64 70.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.618 179.032 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -30.12 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.055 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.3 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.945 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.539 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.666 0.269 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -26.57 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.4 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -88.01 -9.96 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.351 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 15' ' ' LEU . 18.1 mt -84.07 -28.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.023 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.32 -1.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.473 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -91.59 -45.07 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.165 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.604 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.96 -41.39 8.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.757 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.37 -35.89 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 109.874 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.16 -33.74 76.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.668 179.029 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -30.11 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.834 179.111 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.757 HD13 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.942 179.713 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.489 ' CZ3' HG23 ' A' ' 12' ' ' THR . 1.1 p-90 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.844 0.354 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -27.03 67.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -16.92 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.443 179.565 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.478 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 35.9 mt -73.57 -34.4 41.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.885 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -69.43 5.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 179.642 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -96.32 -50.9 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.478 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 4.8 p-90 -87.57 -41.36 13.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.752 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.528 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.84 -40.66 84.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.382 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.529 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.1 -29.0 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.077 179.351 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -22.26 53.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.897 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 15' ' ' LEU . 28.6 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.016 179.741 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.485 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.718 0.294 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -22.22 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.672 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -12.84 36.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.209 179.429 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.599 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -79.25 -30.6 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.11 2.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.302 179.92 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -94.45 -45.36 7.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.169 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.599 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.65 -38.08 11.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.975 -179.907 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.587 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -61.46 -38.68 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.403 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.491 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.35 -25.82 68.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.667 179.19 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.37 -32.67 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.28 179.636 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 53.3 mt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.1 p-90 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.729 0.299 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.31 -26.33 68.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.447 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -88.36 -9.28 53.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.926 179.242 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.0 mt -84.67 -27.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.78 -1.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.347 179.839 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 11' ' ' ILE . 4.5 m120 -91.55 -45.29 8.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.584 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -96.8 -39.36 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.57 -33.67 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.355 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.77 -33.27 75.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.453 178.759 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -30.12 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.967 179.108 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 15' ' ' LEU . 13.0 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.923 179.751 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.471 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.3 p-90 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.672 0.272 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -24.47 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.346 179.575 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.62 -16.6 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.615 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.3 mt -76.94 -29.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -65.91 -1.9 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.225 179.813 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -91.08 -42.79 10.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.181 -179.875 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.615 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -99.38 -41.09 7.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.636 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.57 -36.73 69.67 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.43 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -61.75 -35.33 77.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.463 178.816 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -67.66 -37.85 82.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.921 179.057 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.636 HD11 ' HA ' ' A' ' 15' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.782 179.6 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.531 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.702 0.287 . . . . 0.0 110.619 . . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.62 -21.0 66.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.549 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -13.28 31.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.237 179.442 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.557 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 37.5 mt -75.74 -29.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.595 179.6 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -69.49 -0.32 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.78 -40.73 12.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.557 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -101.21 -37.87 8.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.821 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.459 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.568 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -60.21 -28.31 67.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.738 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -30.67 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.837 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 15' ' ' LEU . 19.8 mt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.116 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.535 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.763 0.316 . . . . 0.0 110.723 . . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -63.13 -25.6 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.42 -14.53 40.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.193 179.52 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.577 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.2 mt -75.52 -29.23 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.129 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.05 -4.27 4.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.33 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -87.32 -45.65 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.258 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.577 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.68 -39.42 9.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.207 -179.718 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.23 -35.42 67.33 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.422 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.21 -35.01 77.59 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.614 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -70.41 -28.98 65.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.791 178.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 15' ' ' LEU . 21.1 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.685 0.279 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -24.3 67.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 110.441 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.85 -11.77 49.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.386 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.585 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.9 mt -79.91 -30.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.02 -1.6 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.677 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.59 -45.36 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -95.69 -40.33 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.012 179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.487 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.39 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.435 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.496 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.86 -29.73 70.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.808 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -27.79 57.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.042 179.388 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 15' ' ' LEU . 17.9 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.952 179.802 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.534 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.765 0.316 . . . . 0.0 110.583 . . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -64.91 -19.81 66.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.343 179.588 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -19.5 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.695 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.712 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.3 mt -72.13 -32.62 44.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -65.41 -1.3 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.251 179.864 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -91.86 -45.63 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -95.42 -41.94 8.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.51 -38.61 72.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.384 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.1 -30.88 71.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.632 179.168 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -30.05 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.173 179.462 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' HA ' ' A' ' 15' ' ' LEU . 62.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.532 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.06 -27.88 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -12.69 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.532 HG13 ' HA ' ' A' ' 8' ' ' TRP . 34.2 mt -73.32 -34.95 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.2 0.11 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.955 179.642 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -90.24 -51.8 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.484 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 4.5 p-90 -87.74 -40.29 14.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.042 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -57.24 -39.07 74.8 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.445 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.535 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.16 -30.26 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.117 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -21.0 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.719 179.156 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.893 179.627 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' CZ3' HG21 ' A' ' 12' ' ' THR . 1.1 p-90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.9 0.381 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.24 -22.85 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.483 179.666 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -99.39 -17.75 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.406 179.636 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.53 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 37.1 mt -72.98 -31.93 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -68.61 -1.17 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.004 179.667 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 8.5 m-80 -89.69 -45.14 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.2 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.53 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.46 -41.05 9.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.43 -37.21 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.55 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.529 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.75 -32.35 73.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 179.07 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -33.59 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.166 179.484 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 20.4 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.995 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.767 0.318 . . . . 0.0 110.652 . . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.34 -23.19 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -92.14 -14.85 28.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.646 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.631 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.1 mt -76.31 -31.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.974 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -63.63 -3.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.221 179.781 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -89.96 -46.28 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.408 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -95.19 -39.03 10.3 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.052 -179.863 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.794 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.52 -36.53 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.458 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' TRP . . . . . 0.474 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.6 -27.9 69.52 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.811 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.79 38.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.794 HD13 ' HA ' ' A' ' 15' ' ' LEU . 62.7 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.929 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.437 ' C ' ' H ' ' A' ' 4' ' ' SER . 60.6 p-90 -106.95 18.19 22.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 30.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.299 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.437 ' H ' ' C ' ' A' ' 2' ' ' TRP . 58.4 m -129.08 43.29 3.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.993 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.525 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.5 pp -140.42 -26.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -77.3 -29.3 53.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -29.52 31.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.026 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.535 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -110.02 -26.06 9.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.638 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 5.8 t80 -60.38 -27.71 67.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -16.27 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.535 HG13 ' HA ' ' A' ' 8' ' ' TRP . 31.8 mt -72.58 -31.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.75 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.432 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -71.31 2.32 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -93.26 -46.76 7.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -92.13 -38.1 12.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD21 HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.49 -34.78 74.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.432 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.94 -26.7 66.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.525 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -25.3 34.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.992 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 14' ' ' TRP . 62.8 mt -73.36 -58.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.011 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' HZ1' ' HG3' ' A' ' 19' ' ' LYS . 6.7 mttp -78.28 -66.04 0.9 Allowed 'General case' 0 C--O 1.25 1.088 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.903 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 1 O-C-N 95.479 -17.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.806 0.336 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.412 ' C ' ' H ' ' A' ' 4' ' ' SER . 48.4 p-90 -119.89 13.27 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.74 29.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.412 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -126.66 27.03 6.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.039 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 pp -129.19 -11.24 4.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.9 p-90 -96.71 -36.5 10.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -21.89 13.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.025 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.533 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -106.51 -21.07 13.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.415 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -65.55 -28.35 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.357 179.625 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -88.41 -3.89 58.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.118 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.566 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.4 mt -86.71 -29.3 5.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.859 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.52 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.33 1.66 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -91.65 -43.57 9.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.5 -38.92 9.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.928 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.804 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.09 -36.45 77.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.508 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.52 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.13 -27.49 68.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 179.098 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -29.41 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.162 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.804 HD13 ' HA ' ' A' ' 15' ' ' LEU . 41.8 mt -71.27 -51.29 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.179 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.97 -2.19 56.11 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.024 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 119.194 0.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.791 0.329 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -127.19 17.29 7.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.006 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.52 21.19 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.495 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.17 23.54 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.581 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.0 pp -126.78 -22.89 3.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -78.2 -27.28 47.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.145 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -24.54 28.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.906 0.384 . . . . 0.0 110.794 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.527 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -114.51 -27.13 7.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.292 179.453 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.581 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -64.71 -22.84 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.258 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -14.09 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.298 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.549 HG21 ' HB3' ' A' ' 15' ' ' LEU . 28.5 mt -75.98 -29.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.481 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.75 0.56 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -91.38 -45.12 8.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.222 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.539 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.32 -37.49 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.032 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.549 ' HB3' HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.47 -36.13 77.54 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.481 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.55 -27.01 68.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.465 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -33.42 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.166 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.526 HD11 ' HA ' ' A' ' 15' ' ' LEU . 21.5 mt -68.24 -66.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.074 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -72.47 -39.79 67.46 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.039 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 1 O-C-N 112.643 -6.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.768 0.318 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.491 ' O ' HD22 ' A' ' 5' ' ' LEU . 34.1 p-90 -75.84 -0.31 20.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.15 27.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.062 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.9 OUTLIER -131.77 34.44 3.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.491 HD22 ' O ' ' A' ' 2' ' ' TRP . 3.9 pp -127.29 -2.22 6.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.926 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 12.6 p-90 -102.33 -33.24 9.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.01 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -22.41 16.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -107.35 -26.34 11.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.14 -27.88 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.17 -12.85 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.642 HG21 HD22 ' A' ' 15' ' ' LEU . 22.2 mt -76.43 -32.98 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.984 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.93 -2.56 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.71 -50.64 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.513 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.6 p-90 -89.03 -40.89 12.67 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.642 HD22 HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -65.44 -33.39 75.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.915 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -24.64 60.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.144 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 14' ' ' TRP . 52.5 mt -76.87 -36.89 26.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.996 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.73 -2.45 51.07 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 1 O-C-N 84.264 -24.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 tttm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.762 0.315 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.405 ' C ' ' H ' ' A' ' 4' ' ' SER . 61.1 p-90 -80.32 14.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.8 18.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.489 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 2' ' ' TRP . 14.6 m -108.05 24.02 13.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.006 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.1 pp -125.79 -22.29 4.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -79.99 -33.77 39.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.242 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -26.8 6.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.389 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.561 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -111.22 -23.28 10.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -64.52 -25.25 67.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.419 179.585 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -85.9 -9.11 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.294 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.561 HG13 ' HA ' ' A' ' 8' ' ' TRP . 22.5 mt -81.92 -30.28 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.21 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.444 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.3 1.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.406 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 11' ' ' ILE . 2.3 m-80 -93.3 -47.8 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.211 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.547 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -91.72 -37.95 12.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.68 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.14 -34.97 74.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.444 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.93 -25.29 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.601 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -23.24 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.197 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 15' ' ' LEU . 59.5 mt -75.87 -46.85 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.043 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -87.72 -54.55 4.2 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 1 O-C-N 80.337 -26.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.763 0.316 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.451 ' C ' ' H ' ' A' ' 4' ' ' SER . 66.8 p-90 -117.11 11.64 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.35 19.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.267 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 2' ' ' TRP . 31.3 p -111.27 23.53 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.781 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.599 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.1 pp -127.02 -6.67 6.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -93.56 -35.54 12.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.345 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -53.49 -25.42 16.41 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.939 0.399 . . . . 0.0 111.012 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.519 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -108.33 -22.66 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.692 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.599 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 4.4 t80 -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.2 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -83.83 -17.1 42.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.558 179.67 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.519 HG13 ' HA ' ' A' ' 8' ' ' TRP . 28.3 mt -73.3 -32.9 39.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.07 4.03 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.023 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' A' ' 11' ' ' ILE . 37.0 m-80 -93.87 -45.6 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.516 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -94.61 -40.39 9.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.774 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -59.08 -37.52 77.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.33 -30.05 71.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.249 0.547 . . . . 0.0 109.699 178.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -30.13 51.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.195 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.439 HG13 ' O ' ' A' ' 14' ' ' TRP . 49.0 mt -70.72 -47.92 60.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.066 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.47 -41.77 54.79 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 1 O-C-N 99.774 -14.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.829 0.347 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.466 ' C ' ' H ' ' A' ' 4' ' ' SER . 68.0 p-90 -110.02 5.98 22.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.59 25.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.584 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.466 ' H ' ' C ' ' A' ' 2' ' ' TRP . 14.3 m -107.11 25.05 11.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.717 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.507 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.2 pp -127.07 0.91 6.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.382 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 5.8 p-90 -96.04 -32.51 12.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.603 0.239 . . . . 0.0 111.249 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -54.22 -27.43 34.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.157 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.539 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -104.77 -26.37 12.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.692 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.507 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -61.58 -29.33 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.695 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -84.0 -16.74 42.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.72 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.539 HG13 ' HA ' ' A' ' 8' ' ' TRP . 24.2 mt -73.19 -30.67 31.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -68.58 2.11 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.955 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 77.6 m-20 -93.84 -49.22 5.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.524 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -89.63 -37.11 14.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.999 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.62 -36.58 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.35 -25.67 68.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.01 -29.73 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.094 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt -76.51 -70.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.049 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -70.7 -15.2 62.69 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 110.857 -7.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.445 ' C ' ' H ' ' A' ' 4' ' ' SER . 50.4 p-90 -101.37 6.04 42.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.79 24.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.445 ' H ' ' C ' ' A' ' 2' ' ' TRP . 15.1 m -122.97 23.02 9.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.068 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.9 pp -122.48 5.07 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.242 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 -100.23 -32.83 10.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -21.43 17.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.525 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -108.71 -27.18 9.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.403 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -64.51 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -9.26 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.141 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.575 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 25.0 mt -79.8 -29.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.842 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.524 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -65.52 -2.97 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.006 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -87.67 -47.61 8.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.575 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.7 p-90 -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.696 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -55.07 -35.71 64.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.524 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.6 -36.72 85.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.567 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.96 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.943 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.696 HD11 ' HA ' ' A' ' 15' ' ' LEU . 21.8 mt -76.47 -33.94 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.954 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -66.74 -74.55 0.11 Allowed 'General case' 0 C--O 1.249 1.078 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 119.288 0.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.752 0.31 . . . . 0.0 111.195 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.447 ' O ' HD23 ' A' ' 5' ' ' LEU . 49.8 p-90 -113.42 -1.99 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.2 23.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.283 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 2' ' ' TRP . 17.7 p -116.99 26.64 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.066 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.447 HD23 ' O ' ' A' ' 2' ' ' TRP . 3.9 pp -120.81 -8.14 9.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -98.46 -34.36 10.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -19.46 6.38 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.27 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -112.58 -25.41 9.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.653 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -65.13 -24.41 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.326 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -89.75 -7.99 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.16 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.678 HG21 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -84.96 -29.21 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.974 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.68 -0.85 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' H ' ' C ' ' A' ' 11' ' ' ILE . 3.7 m-80 -91.2 -44.37 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.6 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.47 -39.76 9.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.678 ' HB3' HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.03 -36.28 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.325 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.28 -29.55 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.629 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -33.02 53.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.512 HD13 ' HA ' ' A' ' 15' ' ' LEU . 38.7 mt -69.47 -52.42 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.213 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -64.64 -12.63 47.87 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 1 O-C-N 66.122 -35.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.841 0.353 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.507 ' O ' HD21 ' A' ' 5' ' ' LEU . 67.2 p-90 -91.46 2.46 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.79 22.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.611 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.486 ' H ' ' C ' ' A' ' 2' ' ' TRP . 1.4 m -109.48 32.42 5.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.553 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -133.24 3.16 3.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.276 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -106.15 -29.52 9.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.719 0.295 . . . . 0.0 111.16 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -22.5 14.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.239 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.545 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -113.35 -25.68 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.667 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.553 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 2.0 t80 -62.02 -22.53 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -19.58 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.679 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.545 HG13 ' HA ' ' A' ' 8' ' ' TRP . 21.2 mt -70.49 -33.57 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.53 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -66.27 -1.05 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -91.51 -45.84 8.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.537 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.37 -40.38 9.97 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.1 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.452 ' HG ' ' N ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -58.65 -37.62 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.53 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.03 -28.7 69.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.616 178.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -27.31 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.127 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 14' ' ' TRP . 56.8 mt -75.98 -36.53 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -94.0 -45.16 7.72 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 1 O-C-N 84.455 -23.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.457 ' C ' ' H ' ' A' ' 4' ' ' SER . 67.7 p-90 -83.98 12.02 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.84 27.94 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.585 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -102.87 30.72 4.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 110.856 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.619 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.5 pp -132.85 -12.45 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -94.04 -27.12 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.096 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -24.03 9.77 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.904 0.383 . . . . 0.0 111.029 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.531 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -115.43 -23.93 8.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.485 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.619 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 2.4 t80 -64.84 -21.97 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.41 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -17.79 33.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.231 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 18.2 mt -74.35 -31.36 28.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.446 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -67.49 1.83 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.26 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' H ' ' C ' ' A' ' 11' ' ' ILE . 70.4 m-80 -94.28 -45.74 7.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.986 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.57 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -94.41 -40.84 9.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.823 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.582 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.3 -36.08 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.396 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.446 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -30.12 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 109.646 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.03 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.078 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.582 HD12 ' HA ' ' A' ' 15' ' ' LEU . 42.7 mt -73.4 -63.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.026 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.417 ' HD2' HD11 ' A' ' 15' ' ' LEU . 18.6 mttp -61.23 -28.72 69.36 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.778 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 1 O-C-N 102.469 -12.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.5 ' HD3' ' H ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.828 0.347 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.5 ' H ' ' HD3' ' A' ' 1' ' ' LYS . 64.5 p-90 -86.76 6.92 29.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.83 5.62 1.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.562 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.51 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 32.2 t -85.11 21.61 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.167 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -122.5 -4.61 8.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -111.79 -32.01 6.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.51 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -56.65 -18.55 12.55 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.724 0.297 . . . . 0.0 111.184 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -113.15 -24.96 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -22.03 66.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -94.41 -5.3 46.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.45 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.606 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 18.8 mt -86.47 -30.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.516 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -64.71 -3.02 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -88.21 -42.08 12.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.239 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.606 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -99.44 -41.42 7.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.551 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.34 -35.72 67.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.931 0.396 . . . . 0.0 109.937 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.516 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.95 -32.83 74.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.555 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -33.26 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.292 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 14' ' ' TRP . 55.0 mt -67.03 -44.7 88.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.259 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -77.73 -49.48 14.34 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 1 O-C-N 109.164 -8.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.763 0.316 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.429 ' C ' ' H ' ' A' ' 4' ' ' SER . 65.8 p-90 -133.41 12.25 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.18 18.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.566 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.429 ' H ' ' C ' ' A' ' 2' ' ' TRP . 6.2 m -125.52 43.07 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.151 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.461 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.3 pp -135.46 -26.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -74.21 -28.93 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.039 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -59.19 -21.75 59.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.215 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.522 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -115.24 -29.75 6.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.7 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 4.6 t80 -64.0 -21.6 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.213 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.547 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 29.1 mt -74.49 -31.09 26.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.663 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.492 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -68.17 0.7 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 -90.71 -44.39 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.547 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.91 -39.11 9.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.938 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.736 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.21 -35.71 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.492 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.69 -29.48 70.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -25.35 51.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.8 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.736 HD13 ' HA ' ' A' ' 15' ' ' LEU . 48.8 mt -76.21 -69.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.073 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.524 ' HZ3' HD11 ' A' ' 15' ' ' LEU . 39.1 mttp -68.62 -21.19 64.5 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.912 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 1 O-C-N 102.434 -12.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.422 ' C ' ' H ' ' A' ' 4' ' ' SER . 64.0 p-90 -100.03 0.87 41.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.55 21.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.697 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.422 ' H ' ' C ' ' A' ' 2' ' ' TRP . 4.5 m -100.04 31.91 3.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.778 0.323 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.497 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -126.39 -31.46 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -71.2 -25.38 62.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.356 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.43 -27.26 46.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 110.845 -179.73 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.54 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -116.67 -24.82 7.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.638 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.497 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -65.1 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.41 179.725 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -12.13 31.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.54 HG13 ' HA ' ' A' ' 8' ' ' TRP . 20.0 mt -78.41 -30.24 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.83 -2.02 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.14 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -90.94 -48.06 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.345 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.518 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.4 p-90 -93.67 -36.99 12.07 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.519 0.199 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' HA ' ' CD1' ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.3 -35.01 74.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.454 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -66.31 -24.06 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.616 179.026 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.413 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -80.24 -30.46 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 21.4 mt -71.84 -58.44 5.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.093 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -80.69 6.29 13.23 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 O-C-N 120.53 -1.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.852 0.358 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.477 ' C ' ' H ' ' A' ' 4' ' ' SER . 52.0 p-90 -83.23 -1.07 52.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.37 27.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.503 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.477 ' H ' ' C ' ' A' ' 2' ' ' TRP . 19.6 m -112.16 30.81 6.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.454 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 2.2 pp -128.22 -0.37 5.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -95.91 -36.08 11.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.855 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -20.82 20.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.533 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -108.74 -23.54 11.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.556 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.454 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 2.9 t80 -64.18 -28.18 69.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -85.74 -10.69 55.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.313 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.557 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -80.81 -28.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.67 0.61 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.85 -43.75 8.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.427 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.557 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.07 -35.75 10.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.607 0.241 . . . . 0.0 111.098 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.807 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -62.14 -33.42 74.46 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -66.48 -22.78 66.2 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.735 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.83 -30.04 24.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.025 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.807 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.9 mt -72.11 -53.11 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -39.0 15.95 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 1 O-C-N 75.952 -29.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.515 ' O ' HD22 ' A' ' 5' ' ' LEU . 57.9 p-90 -91.27 16.35 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.68 21.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.453 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.5 m -127.44 44.83 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.3 pp -138.83 -19.47 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.182 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -83.93 -35.29 24.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.973 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -21.5 20.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.402 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.543 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -112.83 -20.83 11.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.743 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 4.3 t80 -66.03 -23.37 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.319 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -90.08 -11.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.315 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.595 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 16.6 mt -82.43 -28.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -65.11 -1.31 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.178 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' H ' ' C ' ' A' ' 11' ' ' ILE . 28.3 m-80 -91.38 -46.16 8.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.258 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.65 -41.1 9.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.98 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.716 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.82 -36.01 71.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -62.94 -29.87 71.13 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -34.64 55.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.716 HD11 ' HA ' ' A' ' 15' ' ' LEU . 35.9 mt -70.1 -38.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.65 -43.56 16.79 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 1 O-C-N 75.664 -29.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.423 ' HZ2' ' HA ' ' A' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.786 0.327 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.409 ' C ' ' H ' ' A' ' 4' ' ' SER . 63.8 p-90 -108.33 17.08 22.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.92 19.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.785 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.409 ' H ' ' C ' ' A' ' 2' ' ' TRP . 24.7 m -107.82 30.74 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 0.0 111.001 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.97 -10.94 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.946 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 9.4 p-90 -96.54 -29.49 13.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -21.54 15.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.733 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.544 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.3 p-90 -111.38 -24.28 10.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -63.88 -24.41 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.354 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -86.09 -10.76 54.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.585 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.7 mt -81.71 -29.21 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.463 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -67.35 1.82 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.402 ' H ' ' C ' ' A' ' 11' ' ' ILE . 67.4 m-80 -94.26 -46.21 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.5 -39.8 10.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD23 ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.449 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.463 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.84 -27.4 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.769 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -28.07 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.178 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 33.1 mt -73.93 -42.94 53.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -85.17 -21.62 29.12 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 O-C-N 118.725 -2.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.802 0.334 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 54.2 p-90 -93.79 16.58 13.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 179.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.06 28.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.41 18.39 14.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.92 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.458 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.3 pp -119.43 -8.28 10.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.672 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -86.08 -30.1 22.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.58 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.7 m-20 -52.32 -58.57 6.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.508 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -68.07 -31.52 71.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.129 179.342 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -63.83 -22.31 66.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -93.96 -17.08 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.936 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.58 HG13 ' O ' ' A' ' 7' ' ' ASN . 31.3 mt -72.05 -30.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.555 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.2 -2.67 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.988 179.423 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.33 -49.46 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.497 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -91.77 -41.1 10.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.435 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.54 -35.39 68.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.57 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.555 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.64 -35.35 80.75 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.734 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -33.95 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.435 HD13 ' HA ' ' A' ' 15' ' ' LEU . 18.6 mt -73.43 -33.1 39.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.842 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -80.65 0.1 Allowed 'General case' 0 C--O 1.249 1.055 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 119.256 0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.752 0.31 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 42.6 p-90 -153.52 26.55 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.855 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 29.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p -122.08 29.34 7.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.449 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -129.63 -33.81 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.996 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -63.45 -27.81 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.279 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.551 ' O ' HG13 ' A' ' 11' ' ' ILE . 9.8 m-80 -53.86 -56.01 21.49 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 111.176 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.501 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -86.05 -21.78 27.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.482 -179.429 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.449 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 18.7 t80 -63.82 -28.09 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.92 -8.57 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.551 HG13 ' O ' ' A' ' 7' ' ' ASN . 32.8 mt -80.32 -30.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.484 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.19 -5.46 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -87.09 -50.39 6.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.484 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.522 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -89.98 -39.17 13.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.16 -179.71 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.417 HD22 ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.47 -34.0 70.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.484 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.22 -33.76 76.54 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.616 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -32.17 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.011 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.2 mt -75.6 -26.37 18.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.848 179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -76.95 -71.11 0.42 Allowed 'General case' 0 C--O 1.248 0.994 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 1 O-C-N 89.616 -20.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.484 ' HD2' ' H ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.484 ' H ' ' HD2' ' A' ' 1' ' ' LYS . 64.7 p-90 -92.47 16.01 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.27 21.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.254 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -108.38 22.35 16.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 pp -126.59 -10.74 6.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.5 p-90 -94.75 -26.95 16.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.729 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -54.77 -29.72 54.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.545 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.8 p-90 -103.72 -23.92 13.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.783 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -24.54 67.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.946 0.403 . . . . 0.0 110.21 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -89.96 -6.37 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.707 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.588 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 24.1 mt -86.08 -26.85 6.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.87 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -64.48 -2.43 2.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.312 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -88.58 -42.94 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.588 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -99.7 -39.55 8.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.054 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.75 -33.96 69.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.99 -30.63 71.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -25.0 48.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.54 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.1 mt -79.02 -48.45 21.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -64.83 -46.68 80.92 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.07 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 1 O-C-N 110.946 -7.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.793 0.33 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.432 ' C ' ' H ' ' A' ' 4' ' ' SER . 62.9 p-90 -83.64 2.11 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.971 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.48 23.03 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.478 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.432 ' H ' ' C ' ' A' ' 2' ' ' TRP . 2.5 p -102.77 33.02 3.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 179.993 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.431 HD21 ' O ' ' A' ' 2' ' ' TRP . 3.6 pp -132.15 -19.68 2.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.302 179.964 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 9.5 p-90 -89.63 -27.7 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.174 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -53.93 -33.85 57.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.48 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 -102.67 -21.02 14.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.04 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.6 OUTLIER -64.08 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 0.0 110.292 179.477 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.71 -16.14 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.86 179.267 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.553 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 25.5 mt -77.07 -26.62 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.914 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -62.84 -6.15 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 179.794 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.15 -48.09 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.511 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.553 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.62 -41.86 9.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.262 -179.733 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.468 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -54.74 -34.0 61.9 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.497 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.47 -37.55 87.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 178.903 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -29.6 68.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.034 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 14' ' ' TRP . 31.1 mt -75.88 -28.12 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.919 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' HD3' HD12 ' A' ' 15' ' ' LEU . 2.3 mptm? -80.31 -26.76 38.65 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.793 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 1 O-C-N 70.439 -32.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.8 tttt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.755 0.312 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.417 ' C ' ' H ' ' A' ' 4' ' ' SER . 56.7 p-90 -87.72 15.75 6.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.43 24.78 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.688 -179.767 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.417 ' H ' ' C ' ' A' ' 2' ' ' TRP . 1.2 p -102.76 22.12 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.469 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -124.21 -30.0 3.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.414 ' O ' ' HB3' ' A' ' 10' ' ' ASN . 2.5 p-90 -68.78 -24.48 64.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.496 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -25.66 37.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.36 . . . . 0.0 111.258 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.541 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 -123.49 -26.48 4.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.769 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.469 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 7.6 t80 -65.36 -22.71 66.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.167 179.576 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.414 ' HB3' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -88.12 -16.82 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.355 179.659 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 15' ' ' LEU . 17.2 mt -75.43 -32.45 25.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.042 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.5 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -64.8 -2.05 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.39 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.33 -45.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.58 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.12 -41.36 9.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.587 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.18 -37.9 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.5 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.83 -32.1 73.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.269 0.557 . . . . 0.0 109.747 179.071 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -30.51 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.587 HD11 ' HA ' ' A' ' 15' ' ' LEU . 35.7 mt -72.27 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.112 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -68.26 -70.41 0.26 Allowed 'General case' 0 C--O 1.249 1.052 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 118.291 -2.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.761 0.315 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.418 ' C ' ' H ' ' A' ' 4' ' ' SER . 62.0 p-90 -108.09 17.57 22.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.68 22.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.406 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -107.92 27.59 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.899 179.862 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -130.82 -10.82 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.443 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 9.6 p-90 -95.41 -25.88 16.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -55.1 -26.25 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.597 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.498 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.6 p-90 -104.77 -23.82 12.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.395 -179.418 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.443 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -65.29 -24.08 67.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.401 . . . . 0.0 110.245 179.574 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -90.3 -10.24 44.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.399 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.725 HG23 ' HB3' ' A' ' 15' ' ' LEU . 22.0 mt -83.44 -28.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.48 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -65.78 -0.83 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.282 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' H ' ' C ' ' A' ' 11' ' ' ILE . 47.9 m-20 -92.86 -46.32 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.256 -179.784 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.571 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -94.82 -38.84 10.56 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.725 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -60.32 -34.95 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.409 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.48 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.25 -23.87 66.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.62 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -25.91 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.103 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.71 HD13 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt -78.91 -59.07 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -56.48 20.86 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 1 O-C-N 112.969 -6.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.512 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.707 0.289 . . . . 0.0 111.13 . . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.438 ' C ' ' H ' ' A' ' 4' ' ' SER . 50.9 p-90 -74.76 13.84 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.316 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.512 ' HB2' ' HG3' ' A' ' 1' ' ' LYS . . . -78.4 29.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.248 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 2' ' ' TRP . 59.6 m -141.32 53.62 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -144.91 -16.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.142 179.845 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.406 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 11.1 p-90 -95.41 -32.28 12.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.834 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -55.46 -23.09 23.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.406 -179.532 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.541 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -104.28 -23.34 13.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.406 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -61.45 -25.39 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 179.777 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -93.14 -9.63 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.694 HG23 ' HB3' ' A' ' 15' ' ' LEU . 23.3 mt -82.08 -29.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.433 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.25 -5.31 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.26 179.745 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.46 -45.31 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -97.7 -39.68 8.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.202 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.694 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.15 -32.74 64.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.414 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.433 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -64.7 -36.66 85.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.627 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.402 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -66.9 -26.4 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.905 179.051 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.4 mt -89.79 -26.02 5.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.62 20.06 16.86 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.978 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 120.337 -1.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.813 0.34 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.484 ' O ' HD21 ' A' ' 5' ' ' LEU . 38.3 p-90 -83.71 3.73 31.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.0 9.07 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.8 m -105.82 27.47 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.484 HD21 ' O ' ' A' ' 2' ' ' TRP . 4.1 pp -124.04 -14.58 7.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.14 179.758 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -91.59 -29.71 16.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.196 -179.802 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -52.45 -24.41 7.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 -179.881 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.523 ' HA ' HD13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -110.91 -26.18 9.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.556 179.702 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -63.41 -24.53 67.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 110.133 179.605 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.42 -14.65 45.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.004 179.249 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.523 HD13 ' HA ' ' A' ' 8' ' ' TRP . 32.6 mt -75.27 -31.31 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.774 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.527 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -70.89 1.91 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.16 -44.96 9.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.975 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.489 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -96.48 -38.82 9.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.717 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.14 -34.73 72.41 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.34 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.527 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.96 -36.28 83.89 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.692 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -31.72 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.442 178.875 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.717 HD11 ' HA ' ' A' ' 15' ' ' LEU . 37.2 mt -73.37 -31.91 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.852 179.621 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -47.98 32.69 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.826 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 1 O-C-N 93.886 -18.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.803 0.335 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.522 ' O ' HD21 ' A' ' 5' ' ' LEU . 62.6 p-90 -80.79 -8.37 59.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.998 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.71 8.76 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.597 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 2' ' ' TRP . 1.8 m -98.3 34.39 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.986 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.578 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.5 pp -125.5 -21.66 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 179.793 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -79.6 -27.23 41.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.347 -179.603 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -26.72 16.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.358 . . . . 0.0 111.155 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.523 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -114.74 -27.64 7.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.775 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.578 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -61.6 -24.9 66.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 179.745 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.454 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.59 -19.05 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.704 HG21 HD23 ' A' ' 15' ' ' LEU . 28.4 mt -70.13 -35.93 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.027 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.531 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -67.18 0.63 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.335 179.788 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.454 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 2.7 m-80 -92.52 -50.68 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.515 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 1.9 p-90 -88.31 -39.42 14.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.053 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.704 HD23 HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -59.93 -37.17 78.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.567 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.531 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.23 -29.41 69.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.672 179.075 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -30.71 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.146 179.492 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.427 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 21.3 mt -67.36 -41.06 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.979 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.7 mttm -67.34 -57.48 6.55 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.932 179.96 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 116.739 -3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.766 0.317 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.43 ' O ' HD22 ' A' ' 5' ' ' LEU . 59.4 p-90 -91.86 -0.68 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.59 23.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.449 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.497 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 20.3 p -100.74 30.98 3.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.43 HD22 ' O ' ' A' ' 2' ' ' TRP . 3.7 pp -127.91 -15.73 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.425 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 3.1 p-90 -95.63 -29.17 14.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.073 -179.865 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.497 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -54.63 -21.45 10.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.312 -179.738 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.469 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -109.48 -26.38 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.425 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -63.59 -26.12 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.052 0.453 . . . . 0.0 109.953 179.513 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -89.97 15.92 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.978 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 15' ' ' LEU . 14.8 mt -110.53 -28.15 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.518 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -61.45 -5.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.68 7.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.25 -179.825 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.599 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 2.5 p-90 -89.74 -41.59 11.8 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.244 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.639 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.19 -35.4 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.096 179.664 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.518 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -67.09 -32.13 73.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.153 0.501 . . . . 0.0 109.718 179.012 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -30.13 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 HD11 ' HA ' ' A' ' 15' ' ' LEU . 47.3 mt -68.76 -42.97 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -83.0 -65.5 1.0 Allowed 'General case' 0 C--O 1.249 1.043 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 1 O-C-N 111.275 -7.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.543 ' HD2' ' HB3' ' A' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.765 0.317 . . . . 0.0 111.132 . . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.42 ' C ' ' H ' ' A' ' 4' ' ' SER . 66.9 p-90 -109.96 5.48 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.543 ' HB3' ' HD2' ' A' ' 1' ' ' LYS . . . -73.05 12.89 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.504 -179.958 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 2' ' ' TRP . 69.1 m -106.14 21.54 17.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.3 pp -122.42 -3.96 8.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.592 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -89.1 -30.87 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -24.29 21.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.643 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -109.89 -27.68 9.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.596 179.712 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -64.01 -25.34 68.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.933 0.397 . . . . 0.0 110.137 179.57 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -17.35 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.845 179.154 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.55 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.7 mt -74.45 -32.48 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.718 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.64 3.72 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.421 ' H ' ' C ' ' A' ' 11' ' ' ILE . 36.9 m-80 -94.26 -45.57 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.55 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.33 -41.18 9.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.589 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.01 -37.56 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.372 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -29.64 70.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.618 179.032 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -30.12 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.055 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.589 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.3 mt -71.41 -52.84 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.945 179.661 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -67.56 -35.41 78.98 Favored 'General case' 0 C--O 1.249 1.062 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.813 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 120.204 -1.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 tttt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.801 0.334 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.405 ' C ' ' H ' ' A' ' 4' ' ' SER . 29.0 p-90 -91.74 -2.91 56.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.59 25.32 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.315 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.583 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 1.0 OUTLIER -133.14 15.92 4.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.731 0.301 . . . . 0.0 111.58 179.912 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.3 pp -99.28 -20.01 16.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.113 0.482 . . . . 0.0 109.779 178.8 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.432 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 11.0 p-90 -88.08 -23.65 23.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.76 178.957 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.583 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 15.8 m120 -53.29 -27.9 25.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.458 -179.682 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.539 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -105.63 -25.63 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.017 -179.609 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.432 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -62.41 -26.57 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.4 179.829 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -88.01 -9.96 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.351 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.61 HG23 ' HB3' ' A' ' 15' ' ' LEU . 18.1 mt -84.07 -28.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.023 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.466 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.32 -1.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.473 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -91.59 -45.07 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.165 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.604 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.96 -41.39 8.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.757 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.37 -35.89 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 109.874 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.466 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.16 -33.74 76.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.668 179.029 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -30.11 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.834 179.111 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.757 HD13 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt -75.7 -38.23 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.942 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -15.28 55.87 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.811 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 O-C-N 119.025 -2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' C ' ' H ' ' A' ' 4' ' ' SER . 69.0 p-90 -79.88 11.66 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.277 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.39 27.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.76 0.314 . . . . 0.0 111.533 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.474 ' H ' ' C ' ' A' ' 2' ' ' TRP . 50.6 m -117.6 26.75 9.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.76 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -129.17 4.64 5.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -109.95 -32.55 7.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -54.84 -21.68 12.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.864 0.364 . . . . 0.0 111.049 -179.744 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.489 ' CZ3' HG23 ' A' ' 12' ' ' THR . 1.1 p-90 -107.59 -28.7 9.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.519 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -27.03 67.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -16.92 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.443 179.565 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.478 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 35.9 mt -73.57 -34.4 41.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.885 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -69.43 5.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 179.642 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.419 ' H ' ' C ' ' A' ' 11' ' ' ILE . 0.3 OUTLIER -96.32 -50.9 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.903 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.478 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 4.8 p-90 -87.57 -41.36 13.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.752 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.528 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.84 -40.66 84.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.382 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.529 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.1 -29.0 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.077 179.351 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -22.26 53.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.897 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.528 HD11 ' HA ' ' A' ' 15' ' ' LEU . 28.6 mt -77.27 -46.08 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.016 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HZ2' ' HG3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -85.52 -28.34 25.0 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.902 -179.864 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 1 O-C-N 112.992 -6.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.779 0.323 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.424 ' C ' ' H ' ' A' ' 4' ' ' SER . 60.8 p-90 -89.4 19.46 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.83 30.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.234 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.424 ' H ' ' C ' ' A' ' 2' ' ' TRP . 75.5 p -121.31 38.31 4.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.137 -179.974 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.415 HD21 ' O ' ' A' ' 2' ' ' TRP . 3.3 pp -140.93 -3.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.047 179.879 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -106.21 -33.44 7.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.07 -19.18 17.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.149 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.485 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -109.97 -30.49 7.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -22.22 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.672 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -12.84 36.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.209 179.429 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.599 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -79.25 -30.6 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.491 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.11 2.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.302 179.92 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' H ' ' C ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -94.45 -45.36 7.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.169 -179.965 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.599 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.65 -38.08 11.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.975 -179.907 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.587 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -61.46 -38.68 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.403 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.491 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.35 -25.82 68.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.667 179.19 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.37 -32.67 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.28 179.636 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.405 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 53.3 mt -65.37 -60.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -62.97 -30.88 71.92 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 O-C-N 117.611 -3.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.497 ' HE3' ' HD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.797 0.332 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.497 ' HD1' ' HE3' ' A' ' 1' ' ' LYS . 28.8 p-90 -80.53 -2.99 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.763 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 24.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.264 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.414 ' H ' ' C ' ' A' ' 2' ' ' TRP . 7.5 p -98.72 26.97 5.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.993 -179.948 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.536 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 1.6 pp -128.92 -10.18 4.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.233 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -87.83 -30.28 20.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.321 . . . . 0.0 110.851 -179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -53.34 -32.72 50.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.353 -179.651 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.1 p-90 -104.22 -20.78 13.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.783 -179.74 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.536 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.3 t80 -65.31 -26.33 68.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.447 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -88.36 -9.28 53.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.926 179.242 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.81 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.0 mt -84.67 -27.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.408 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.78 -1.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.347 179.839 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' H ' ' C ' ' A' ' 11' ' ' ILE . 4.5 m120 -91.55 -45.29 8.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.919 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.584 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -96.8 -39.36 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.81 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.57 -33.67 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.355 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.408 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.77 -33.27 75.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.453 178.759 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -30.12 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.967 179.108 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.734 HD13 ' HA ' ' A' ' 15' ' ' LEU . 13.0 mt -78.17 -62.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.923 179.751 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -63.55 -79.94 0.03 OUTLIER 'General case' 0 C--O 1.249 1.057 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 120.444 -1.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.805 0.336 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.419 ' C ' ' H ' ' A' ' 4' ' ' SER . 64.2 p-90 -89.24 18.5 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.89 31.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.284 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 2' ' ' TRP . 3.9 m -127.61 36.78 4.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -134.5 -12.06 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.048 179.918 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -94.59 -30.62 14.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.116 -179.811 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.555 ' O ' HG13 ' A' ' 11' ' ' ILE . 4.0 p30 -53.35 -56.89 13.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.611 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.471 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.3 p-90 -67.35 -29.38 68.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -24.47 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.346 179.575 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.62 -16.6 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.615 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.3 mt -76.94 -29.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.456 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -65.91 -1.9 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.225 179.813 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -91.08 -42.79 10.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.181 -179.875 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.615 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -99.38 -41.09 7.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.636 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.57 -36.73 69.67 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.43 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.456 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -61.75 -35.33 77.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.463 178.816 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -67.66 -37.85 82.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.921 179.057 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.636 HD11 ' HA ' ' A' ' 15' ' ' LEU . 11.9 mt -69.52 -32.81 54.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.782 179.6 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -60.07 2.57 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 1 O-C-N 93.29 -18.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.797 0.332 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' C ' ' H ' ' A' ' 4' ' ' SER . 67.6 p-90 -81.29 9.06 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.65 11.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.781 -179.718 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 2' ' ' TRP . 69.0 m -103.82 29.04 6.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.738 0.304 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.463 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.0 pp -131.64 -25.96 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.901 179.714 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -74.18 -26.71 60.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.25 -179.737 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.73 39.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.531 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -116.02 -26.62 7.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.619 179.688 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.463 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 17.9 t80 -65.62 -21.0 66.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.549 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -13.28 31.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.237 179.442 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.557 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 37.5 mt -75.74 -29.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.595 179.6 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -69.49 -0.32 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.78 -40.73 12.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.557 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -101.21 -37.87 8.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.821 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.609 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.459 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.568 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -60.21 -28.31 67.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.738 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -30.67 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.837 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.609 HD13 ' HA ' ' A' ' 15' ' ' LEU . 19.8 mt -82.87 -74.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -71.32 -0.5 10.22 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 1 O-C-N 61.354 -38.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.855 0.36 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.434 ' C ' ' H ' ' A' ' 4' ' ' SER . 47.1 p-90 -118.65 9.45 12.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.94 30.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.377 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -118.72 26.13 9.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.047 179.925 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.486 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.9 pp -130.96 -5.08 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -94.39 -31.84 13.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.261 -179.765 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -24.92 33.58 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.849 0.357 . . . . 0.0 110.778 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.535 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -105.95 -27.39 11.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.486 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.4 t80 -63.13 -25.6 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 179.828 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.42 -14.53 40.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.193 179.52 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.577 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.2 mt -75.52 -29.23 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.129 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.415 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.05 -4.27 4.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.33 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -87.32 -45.65 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.258 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.577 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.68 -39.42 9.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.207 -179.718 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.562 HD21 HG21 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.23 -35.42 67.33 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.422 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.415 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.21 -35.01 77.59 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.614 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.417 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -70.41 -28.98 65.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.791 178.972 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.518 HD13 ' HA ' ' A' ' 15' ' ' LEU . 21.1 mt -80.05 -22.08 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -80.58 -56.79 3.92 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 1 O-C-N 75.566 -29.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.411 ' C ' ' H ' ' A' ' 4' ' ' SER . 45.9 p-90 -73.14 -6.13 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.812 -179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.46 13.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.472 -179.878 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 2' ' ' TRP . 79.4 p -88.44 27.05 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.896 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -130.52 -0.93 4.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.55 -179.902 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.426 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.3 p-90 -107.43 -32.25 7.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.644 0.259 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.48 -19.57 15.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.95 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -106.31 -28.25 10.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.426 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -64.87 -24.3 67.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 110.441 179.878 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.85 -11.77 49.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.386 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.585 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.9 mt -79.91 -30.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.496 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.02 -1.6 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.677 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.59 -45.36 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -95.69 -40.33 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.012 179.935 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.487 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -58.39 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.435 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.496 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.86 -29.73 70.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.808 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -27.79 57.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.042 179.388 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 HD13 ' HA ' ' A' ' 15' ' ' LEU . 17.9 mt -81.53 -68.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.952 179.802 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -33.8 59.49 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 119.202 0.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -84.79 9.91 12.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.55 2.02 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.201 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.429 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 41.2 m -99.56 30.71 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.172 -179.902 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.489 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.7 pp -128.27 -28.77 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.893 179.691 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -77.31 -28.54 53.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.067 -179.774 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.429 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -56.54 -24.21 45.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.993 -179.861 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.534 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -114.52 -27.01 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 179.809 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.489 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 13.5 t80 -64.91 -19.81 66.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.343 179.588 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -19.5 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.695 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.712 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.3 mt -72.13 -32.62 44.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -65.41 -1.3 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.251 179.864 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -91.86 -45.63 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.565 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -95.42 -41.94 8.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.714 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.51 -38.61 72.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.384 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.1 -30.88 71.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.632 179.168 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -30.05 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.173 179.462 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.714 HD11 ' HA ' ' A' ' 15' ' ' LEU . 62.0 mt -70.96 -52.9 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -20.59 60.75 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 117.725 -3.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.457 ' HG3' ' N ' ' A' ' 2' ' ' TRP . 4.7 tptp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.692 0.282 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.457 ' N ' ' HG3' ' A' ' 1' ' ' LYS . 68.4 p-90 -86.06 13.75 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.911 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.17 30.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.268 179.843 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.8 OUTLIER -122.34 37.91 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.114 179.936 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.505 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.7 pp -135.16 -25.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.994 179.841 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -79.48 -30.59 42.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 -179.624 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.465 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.94 -39.01 58.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.354 -179.27 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.532 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -96.79 -26.61 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.891 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.505 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 6.4 t80 -60.06 -27.88 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -12.69 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.532 HG13 ' HA ' ' A' ' 8' ' ' TRP . 34.2 mt -73.32 -34.95 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.535 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.2 0.11 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.955 179.642 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -90.24 -51.8 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.484 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 4.5 p-90 -87.74 -40.29 14.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.042 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -57.24 -39.07 74.8 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.445 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.535 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.16 -30.26 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.117 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -21.0 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.719 179.156 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 8.0 mt -96.07 -74.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.893 179.627 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -53.59 -73.28 0.05 OUTLIER 'General case' 0 C--O 1.249 1.041 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.047 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 119.374 0.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 mttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.839 0.352 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 64.5 p-90 -96.16 14.18 24.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.65 19.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.356 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.474 ' HA ' ' ND2' ' A' ' 7' ' ' ASN . 0.1 OUTLIER -114.17 22.39 13.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.086 -179.956 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.538 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.4 pp -119.2 -13.99 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 179.731 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.0 p-90 -90.34 -29.05 18.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . 0.637 ' O ' HG13 ' A' ' 11' ' ' ILE . 30.0 m-80 -56.46 -57.92 10.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.205 0.526 . . . . 0.0 110.229 179.538 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' CZ3' HG21 ' A' ' 12' ' ' THR . 1.1 p-90 -68.51 -27.31 66.0 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.769 179.648 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.538 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 3.1 t80 -62.24 -22.85 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.483 179.666 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.407 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -99.39 -17.75 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.406 179.636 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.637 HG13 ' O ' ' A' ' 7' ' ' ASN . 37.1 mt -72.98 -31.93 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.529 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -68.61 -1.17 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.004 179.667 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 8.5 m-80 -89.69 -45.14 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.2 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.53 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.46 -41.05 9.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' HB3' HG23 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.43 -37.21 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.55 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.529 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.75 -32.35 73.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 179.07 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -33.59 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.166 179.484 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.416 ' CD1' ' HA ' ' A' ' 15' ' ' LEU . 20.4 mt -69.41 -32.48 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.995 179.768 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -77.69 -62.31 1.71 Allowed 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 1 O-C-N 95.028 -17.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.457 ' HG3' ' HB2' ' A' ' 3' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.677 0.275 . . . . 0.0 111.057 . . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.426 ' C ' ' H ' ' A' ' 4' ' ' SER . 65.0 p-90 -69.64 5.01 1.57 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.536 -179.656 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.457 ' HB2' ' HG3' ' A' ' 1' ' ' LYS . . . -68.05 5.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.657 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 2' ' ' TRP . 58.0 p -102.63 33.12 3.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.691 0.281 . . . . 0.0 111.327 -179.793 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.1 pp -129.99 -13.23 4.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.111 179.629 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -89.1 -31.7 17.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -22.3 18.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.127 -179.667 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -111.49 -24.43 10.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.652 179.88 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 5.5 t80 -64.34 -23.19 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.489 179.649 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -92.14 -14.85 28.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.646 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.631 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.1 mt -76.31 -31.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.974 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.474 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -63.63 -3.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.221 179.781 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -89.96 -46.28 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.408 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' TRP . . . . . 0.566 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -95.19 -39.03 10.3 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.052 -179.863 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.794 ' HA ' HD13 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.52 -36.53 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.458 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' TRP . . . . . 0.474 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.6 -27.9 69.52 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.811 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.79 38.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.794 HD13 ' HA ' ' A' ' 15' ' ' LEU . 62.7 mt -71.47 -41.02 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.929 179.731 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.99 -18.47 60.37 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 119.268 0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.745 0.307 . . . . 0.0 110.638 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.38 -27.71 67.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -16.27 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.526 HG13 ' HA ' ' A' ' 8' ' ' TRP . 31.8 mt -72.58 -31.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.75 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -71.31 2.32 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -93.26 -46.76 7.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -92.13 -38.1 12.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.83 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.49 -34.78 74.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.94 -26.7 66.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.525 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -25.3 34.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.992 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.8 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.011 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.73 0.3 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -28.35 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.357 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -88.41 -3.89 58.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.118 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.577 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.4 mt -86.71 -29.3 5.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.859 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.33 1.66 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -91.65 -43.57 9.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.577 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.5 -38.92 9.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.928 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.883 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.09 -36.45 77.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.508 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.526 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.13 -27.49 68.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 179.098 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -29.41 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.162 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 15' ' ' LEU . 41.8 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.179 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.786 0.327 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -22.84 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.258 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -14.09 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.298 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.551 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.5 mt -75.98 -29.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.75 0.56 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -91.38 -45.12 8.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.222 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.32 -37.49 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.032 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.914 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.47 -36.13 77.54 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.55 -27.01 68.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.465 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -33.42 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.166 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.5 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.074 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.506 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.912 0.387 . . . . 0.0 110.605 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.14 -27.88 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.17 -12.85 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.528 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.2 mt -76.43 -32.98 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.984 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.93 -2.56 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.71 -50.64 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.528 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.6 p-90 -89.03 -40.89 12.67 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -65.44 -33.39 75.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.915 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -24.64 60.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.144 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.5 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.996 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.554 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -25.25 67.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.419 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -85.9 -9.11 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.294 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.561 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.5 mt -81.92 -30.28 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.21 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.3 1.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.406 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -93.3 -47.8 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.211 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.561 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -91.72 -37.95 12.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.822 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.14 -34.97 74.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.93 -25.29 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.601 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -23.24 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.197 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 15' ' ' LEU . 59.5 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.043 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.769 0.319 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.2 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -83.83 -17.1 42.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.558 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.531 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.3 mt -73.3 -32.9 39.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.07 4.03 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.023 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -93.87 -45.6 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.531 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -94.61 -40.39 9.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.774 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.08 -37.52 77.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.33 -30.05 71.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.249 0.547 . . . . 0.0 109.699 178.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -30.13 51.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.195 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 15' ' ' LEU . 49.0 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.524 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.874 0.369 . . . . 0.0 110.692 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -29.33 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.0 -16.74 42.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.539 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 24.2 mt -73.19 -30.67 31.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -68.58 2.11 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.955 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 10' ' ' ASN . 77.6 m-20 -93.84 -49.22 5.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.539 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -89.63 -37.11 14.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.999 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.835 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.62 -36.58 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.35 -25.67 68.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.874 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.01 -29.73 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.094 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.049 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.739 0.304 . . . . 0.0 110.756 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -9.26 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.141 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.629 HG22 ' HB3' ' A' ' 15' ' ' LEU . 25.0 mt -79.8 -29.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.842 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -65.52 -2.97 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.006 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.67 -47.61 8.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.7 p-90 -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.844 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -55.07 -35.71 64.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.6 -36.72 85.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.567 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.96 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.943 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.8 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.954 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -24.41 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.326 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -89.75 -7.99 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.16 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.724 HG22 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -84.96 -29.21 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.974 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.68 -0.85 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -91.2 -44.37 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.612 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.47 -39.76 9.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.03 -36.28 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.325 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.28 -29.55 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.629 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -33.02 53.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.7 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.213 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.534 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.863 0.364 . . . . 0.0 110.667 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -62.02 -22.53 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.81 -19.58 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.679 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.551 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.2 mt -70.49 -33.57 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -66.27 -1.05 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -91.51 -45.84 8.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.37 -40.38 9.97 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.1 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.65 -37.62 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.03 -28.7 69.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.616 178.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -27.31 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.127 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 15' ' ' LEU . 56.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.173 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.522 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -64.84 -21.97 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.41 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -17.79 33.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.231 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.586 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 18.2 mt -74.35 -31.36 28.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.472 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -67.49 1.83 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.26 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -94.28 -45.74 7.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.586 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -94.41 -40.84 9.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.823 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.3 -36.08 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.396 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -30.12 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 109.646 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.03 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.078 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 15' ' ' LEU . 42.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.795 0.331 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -22.03 66.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -94.41 -5.3 46.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.45 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.666 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.8 mt -86.47 -30.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -64.71 -3.02 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -88.21 -42.08 12.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.239 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -99.44 -41.42 7.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.34 -35.72 67.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.931 0.396 . . . . 0.0 109.937 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.523 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.95 -32.83 74.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.555 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -33.26 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.292 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 15' ' ' LEU . 55.0 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.506 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.765 0.316 . . . . 0.0 110.7 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.0 -21.6 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.213 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.558 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 29.1 mt -74.49 -31.09 26.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.663 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -68.17 0.7 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -90.71 -44.39 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.558 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.91 -39.11 9.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.938 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.904 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.21 -35.71 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.69 -29.48 70.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -25.35 51.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.8 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 15' ' ' LEU . 48.8 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.073 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.535 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 110.638 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.41 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -12.13 31.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.599 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.0 mt -78.41 -30.24 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.83 -2.02 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.14 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -90.94 -48.06 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.345 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.4 p-90 -93.67 -36.99 12.07 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.519 0.199 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.922 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.3 -35.01 74.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -66.31 -24.06 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.616 179.026 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -80.24 -30.46 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.4 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.517 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.18 -28.18 69.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -85.74 -10.69 55.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.313 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.57 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -80.81 -28.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.448 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.67 0.61 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -92.85 -43.75 8.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.427 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.57 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.07 -35.75 10.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.607 0.241 . . . . 0.0 111.098 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.842 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -62.14 -33.42 74.46 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.48 -22.78 66.2 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.735 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.83 -30.04 24.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.025 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.9 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.529 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.731 0.3 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -66.03 -23.37 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.319 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -90.08 -11.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.315 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.753 HG22 ' HB3' ' A' ' 15' ' ' LEU . 16.6 mt -82.43 -28.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -65.11 -1.31 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.178 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -91.38 -46.16 8.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.258 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.609 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.65 -41.1 9.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.98 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.753 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.82 -36.01 71.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -62.94 -29.87 71.13 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -34.64 55.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.9 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.538 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.3 p-90 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -24.41 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.354 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -86.09 -10.76 54.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.598 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.7 mt -81.71 -29.21 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -67.35 1.82 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -94.26 -46.21 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.598 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.5 -39.8 10.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.848 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.449 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.84 -27.4 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.769 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -28.07 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.178 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 15' ' ' LEU . 33.1 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.479 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.859 0.361 . . . . 0.0 110.129 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.83 -22.31 66.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -93.96 -17.08 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.936 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.525 HG22 HD23 ' A' ' 15' ' ' LEU . 31.3 mt -72.05 -30.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.2 -2.67 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.988 179.423 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.33 -49.46 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.505 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -91.77 -41.1 10.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.54 -35.39 68.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.57 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.557 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.64 -35.35 80.75 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.734 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -33.95 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 15' ' ' LEU . 18.6 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.842 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HA ' ' CD1' ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.543 0.211 . . . . 0.0 111.482 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.82 -28.09 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -91.92 -8.57 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.553 HG22 ' HB3' ' A' ' 15' ' ' LEU . 32.8 mt -80.32 -30.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.19 -5.46 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -87.09 -50.39 6.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.484 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.533 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -89.98 -39.17 13.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.16 -179.71 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.796 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.47 -34.0 70.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.22 -33.76 76.54 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.616 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -32.17 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.011 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 15' ' ' LEU . 25.2 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.848 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.8 p-90 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.677 0.275 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -24.54 67.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.946 0.403 . . . . 0.0 110.21 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -89.96 -6.37 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.707 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.746 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.1 mt -86.08 -26.85 6.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.87 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -64.48 -2.43 2.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.312 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -88.58 -42.94 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.598 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -99.7 -39.55 8.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.054 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.746 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.75 -33.96 69.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.99 -30.63 71.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -25.0 48.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.1 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.632 0.253 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 0.0 110.292 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.71 -16.14 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.86 179.267 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.738 HG22 ' HB3' ' A' ' 15' ' ' LEU . 25.5 mt -77.07 -26.62 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.914 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -62.84 -6.15 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 179.794 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.15 -48.09 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.511 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.585 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.62 -41.86 9.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.262 -179.733 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.769 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -54.74 -34.0 61.9 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.47 -37.55 87.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 178.903 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -29.6 68.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.034 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 15' ' ' LEU . 31.1 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.919 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.538 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.329 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -65.36 -22.71 66.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.167 179.576 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.12 -16.82 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.355 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.634 HG22 ' HB3' ' A' ' 15' ' ' LEU . 17.2 mt -75.43 -32.45 25.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.042 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.508 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -64.8 -2.05 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.39 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.33 -45.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.12 -41.36 9.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.18 -37.9 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.83 -32.1 73.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.269 0.557 . . . . 0.0 109.747 179.071 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -30.51 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.7 mt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.49 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.6 p-90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.582 0.229 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -24.08 67.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.401 . . . . 0.0 110.245 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -90.3 -10.24 44.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.399 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.0 mt -83.44 -28.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -65.78 -0.83 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.282 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -92.86 -46.32 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -94.82 -38.84 10.56 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.812 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.32 -34.95 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.409 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.25 -23.87 66.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.62 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -25.91 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.103 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -25.39 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -93.14 -9.63 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 15' ' ' LEU . 23.3 mt -82.08 -29.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.25 -5.31 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.26 179.745 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.46 -45.31 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -97.7 -39.68 8.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.202 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.876 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.15 -32.74 64.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.414 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -64.7 -36.66 85.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.627 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -66.9 -26.4 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.905 179.051 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 15' ' ' LEU . 6.4 mt . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.512 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.751 0.31 . . . . 0.0 110.556 . . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -24.53 67.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 110.133 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.42 -14.65 45.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.004 179.249 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' ' 8' ' ' TRP . 32.6 mt -75.27 -31.31 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.774 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -70.89 1.91 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -90.16 -44.96 9.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.975 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 1.1 p-90 -96.48 -38.82 9.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.14 -34.73 72.41 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.34 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.96 -36.28 83.89 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.692 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -31.72 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.442 178.875 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.867 HD12 ' HA ' ' A' ' 15' ' ' LEU . 37.2 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.852 179.621 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.745 0.307 . . . . 0.0 110.775 . . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -24.9 66.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -88.59 -19.05 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.57 HG22 HD23 ' A' ' 15' ' ' LEU . 28.4 mt -70.13 -35.93 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.027 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -67.18 0.63 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.335 179.788 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 2.7 m-80 -92.52 -50.68 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 1.9 p-90 -88.31 -39.42 14.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.053 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.971 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.93 -37.17 78.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.567 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.23 -29.41 69.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.672 179.075 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -30.71 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.146 179.492 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.971 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.3 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.979 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.454 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.63 0.252 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -26.12 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.052 0.453 . . . . 0.0 109.953 179.513 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -89.97 15.92 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.978 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 15' ' ' LEU . 14.8 mt -110.53 -28.15 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -61.45 -5.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.68 7.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.25 -179.825 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.617 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 2.5 p-90 -89.74 -41.59 11.8 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.244 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.932 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.19 -35.4 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.096 179.664 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -67.09 -32.13 73.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.153 0.501 . . . . 0.0 109.718 179.012 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -30.13 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 15' ' ' LEU . 47.3 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.499 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.642 0.258 . . . . 0.0 110.596 . . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -25.34 68.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.933 0.397 . . . . 0.0 110.137 179.57 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -17.35 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.845 179.154 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.563 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.7 mt -74.45 -32.48 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.718 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.64 3.72 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -94.26 -45.57 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.563 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.33 -41.18 9.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.915 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.01 -37.56 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.372 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -29.64 70.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.618 179.032 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -30.12 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.055 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.915 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.3 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.945 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.531 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.666 0.269 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -26.57 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.4 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -88.01 -9.96 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.351 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.778 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.1 mt -84.07 -28.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.023 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.32 -1.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.473 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -91.59 -45.07 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.165 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.96 -41.39 8.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.878 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.37 -35.89 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 109.874 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.16 -33.74 76.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.668 179.029 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -30.11 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.834 179.111 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.942 179.713 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.428 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.844 0.354 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -27.03 67.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -16.92 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.443 179.565 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 15' ' ' LEU . 35.9 mt -73.57 -34.4 41.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.885 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -69.43 5.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 179.642 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.32 -50.9 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.588 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 4.8 p-90 -87.57 -41.36 13.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.752 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.98 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.84 -40.66 84.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.382 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.1 -29.0 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.077 179.351 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -22.26 53.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.897 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.98 HD12 ' HA ' ' A' ' 15' ' ' LEU . 28.6 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.016 179.741 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.482 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.718 0.294 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -22.22 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.672 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -12.84 36.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.209 179.429 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.614 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -79.25 -30.6 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.11 2.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.302 179.92 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.45 -45.36 7.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.614 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.65 -38.08 11.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.975 -179.907 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.832 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.46 -38.68 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.403 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.35 -25.82 68.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.667 179.19 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.37 -32.67 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.28 179.636 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 15' ' ' LEU . 53.3 mt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.5 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.1 p-90 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.729 0.299 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.31 -26.33 68.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.447 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -88.36 -9.28 53.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.926 179.242 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.767 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.0 mt -84.67 -27.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.78 -1.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.347 179.839 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -91.55 -45.29 8.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.919 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -96.8 -39.36 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.962 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.57 -33.67 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.355 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.77 -33.27 75.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.453 178.759 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -30.12 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.967 179.108 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.962 HD12 ' HA ' ' A' ' 15' ' ' LEU . 13.0 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.923 179.751 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.425 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.3 p-90 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.672 0.272 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -24.47 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.346 179.575 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.62 -16.6 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.766 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.3 mt -76.94 -29.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -65.91 -1.9 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.225 179.813 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -91.08 -42.79 10.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.181 -179.875 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.631 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -99.38 -41.09 7.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.883 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.57 -36.73 69.67 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.43 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -61.75 -35.33 77.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.463 178.816 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -67.66 -37.85 82.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.921 179.057 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 15' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.782 179.6 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.702 0.287 . . . . 0.0 110.619 . . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.62 -21.0 66.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.549 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -13.28 31.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.237 179.442 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.568 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 37.5 mt -75.74 -29.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.595 179.6 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -69.49 -0.32 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -88.78 -40.73 12.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.568 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -101.21 -37.87 8.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.821 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.459 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.57 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -60.21 -28.31 67.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.738 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -30.67 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.837 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 15' ' ' LEU . 19.8 mt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.116 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.529 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.763 0.316 . . . . 0.0 110.723 . . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -63.13 -25.6 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.42 -14.53 40.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.193 179.52 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.2 mt -75.52 -29.23 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.129 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.05 -4.27 4.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.33 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -87.32 -45.65 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.258 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.589 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.68 -39.42 9.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.207 -179.718 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.707 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.23 -35.42 67.33 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.422 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.21 -35.01 77.59 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.614 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -70.41 -28.98 65.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.791 178.972 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.1 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.494 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.685 0.279 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -24.3 67.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 110.441 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.85 -11.77 49.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.386 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.6 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.9 mt -79.91 -30.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.02 -1.6 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.677 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.59 -45.36 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.6 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -95.69 -40.33 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.012 179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.789 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.39 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.435 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.503 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.86 -29.73 70.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.808 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -27.79 57.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.042 179.388 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 15' ' ' LEU . 17.9 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.952 179.802 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.765 0.316 . . . . 0.0 110.583 . . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -64.91 -19.81 66.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.343 179.588 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -19.5 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.695 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.3 mt -72.13 -32.62 44.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -65.41 -1.3 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.251 179.864 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -91.86 -45.63 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -95.42 -41.94 8.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.707 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.51 -38.61 72.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.384 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.509 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.1 -30.88 71.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.632 179.168 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -30.05 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.173 179.462 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.519 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.06 -27.88 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -12.69 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.558 HG22 HD23 ' A' ' 15' ' ' LEU . 34.2 mt -73.32 -34.95 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.2 0.11 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.955 179.642 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.24 -51.8 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.496 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 4.5 p-90 -87.74 -40.29 14.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.042 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.731 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.24 -39.07 74.8 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.445 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.16 -30.26 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.117 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -21.0 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.719 179.156 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 15' ' ' LEU . 8.0 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.893 179.627 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.411 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.9 0.381 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.24 -22.85 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.483 179.666 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -99.39 -17.75 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.406 179.636 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.554 HG22 HD23 ' A' ' 15' ' ' LEU . 37.1 mt -72.98 -31.93 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -68.61 -1.17 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.004 179.667 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 8.5 m-80 -89.69 -45.14 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.2 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.545 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.46 -41.05 9.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.933 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.43 -37.21 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.55 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.75 -32.35 73.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 179.07 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -33.59 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.166 179.484 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 15' ' ' LEU . 20.4 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.995 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.767 0.318 . . . . 0.0 110.652 . . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.34 -23.19 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -92.14 -14.85 28.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.646 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.698 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.1 mt -76.31 -31.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.974 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 12' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -63.63 -3.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.221 179.781 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -89.96 -46.28 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.408 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -95.19 -39.03 10.3 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.052 -179.863 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.746 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.52 -36.53 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.458 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 16' ' ' TRP . . . . . 0.477 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.6 -27.9 69.52 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.811 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.79 38.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.7 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.929 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.403 ' C ' ' H ' ' A' ' 4' ' ' SER . 60.6 p-90 -106.95 18.19 22.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 30.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.299 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 2' ' ' TRP . 58.4 m -129.08 43.29 3.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.993 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.5 pp -140.42 -26.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -77.3 -29.3 53.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -29.52 31.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.026 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -110.02 -26.06 9.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.638 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.544 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 5.8 t80 -60.38 -27.71 67.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -16.27 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.526 HG13 ' HA ' ' A' ' 8' ' ' TRP . 31.8 mt -72.58 -31.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.75 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -71.31 2.32 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -93.26 -46.76 7.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -92.13 -38.1 12.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.83 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.49 -34.78 74.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.94 -26.7 66.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.525 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -25.3 34.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.992 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.8 mt -73.36 -58.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.011 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -78.28 -66.04 0.9 Allowed 'General case' 0 C--O 1.25 1.088 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 1 O-C-N 95.479 -17.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.806 0.336 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.569 ' HE3' HD21 ' A' ' 5' ' ' LEU . 48.4 p-90 -119.89 13.27 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.74 29.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.66 27.03 6.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.569 HD21 ' HE3' ' A' ' 2' ' ' TRP . 4.0 pp -129.19 -11.24 4.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.9 p-90 -96.71 -36.5 10.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -21.89 13.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.025 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -106.51 -21.07 13.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -65.55 -28.35 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.357 179.625 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -88.41 -3.89 58.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.118 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.577 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.4 mt -86.71 -29.3 5.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.859 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.33 1.66 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -91.65 -43.57 9.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.577 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.5 -38.92 9.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.928 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.883 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.09 -36.45 77.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.508 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.526 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.13 -27.49 68.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 179.098 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -29.41 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.162 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 15' ' ' LEU . 41.8 mt -71.27 -51.29 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.179 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.97 -2.19 56.11 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.024 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 119.194 0.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.791 0.329 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.583 ' HE3' HD21 ' A' ' 5' ' ' LEU . 56.6 p-90 -127.19 17.29 7.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.52 21.19 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.495 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.17 23.54 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.0 pp -126.78 -22.89 3.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -78.2 -27.28 47.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.145 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -24.54 28.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.906 0.384 . . . . 0.0 110.794 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -114.51 -27.13 7.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.292 179.453 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -64.71 -22.84 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.258 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -14.09 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.298 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.551 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.5 mt -75.98 -29.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.75 0.56 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -91.38 -45.12 8.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.222 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.32 -37.49 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.032 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.914 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.47 -36.13 77.54 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.55 -27.01 68.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.465 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -33.42 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.166 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.5 mt -68.24 -66.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.074 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -72.47 -39.79 67.46 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.039 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 1 O-C-N 112.643 -6.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.768 0.318 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.593 ' HE3' HD21 ' A' ' 5' ' ' LEU . 34.1 p-90 -75.84 -0.31 20.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.15 27.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.062 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.77 34.44 3.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.593 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.9 pp -127.29 -2.22 6.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.926 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.407 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 12.6 p-90 -102.33 -33.24 9.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -22.41 16.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.506 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -107.35 -26.34 11.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 1.3 t80 -61.14 -27.88 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.806 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.2 p30 -89.17 -12.85 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.528 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.2 mt -76.43 -32.98 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.984 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.93 -2.56 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.71 -50.64 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.528 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.6 p-90 -89.03 -40.89 12.67 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -65.44 -33.39 75.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.915 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -24.64 60.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.144 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.5 mt -76.87 -36.89 26.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.996 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.73 -2.45 51.07 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 1 O-C-N 84.264 -24.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 tttm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.762 0.315 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.562 ' HE3' HD21 ' A' ' 5' ' ' LEU . 61.1 p-90 -80.32 14.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.8 18.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.489 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -108.05 24.02 13.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.006 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.562 HD21 ' HE3' ' A' ' 2' ' ' TRP . 4.1 pp -125.79 -22.29 4.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -79.99 -33.77 39.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.242 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -26.8 6.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.389 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.554 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -111.22 -23.28 10.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -64.52 -25.25 67.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.419 179.585 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.9 p30 -85.9 -9.11 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.294 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.561 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.5 mt -81.92 -30.28 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.21 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.3 1.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.406 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m120 -93.3 -47.8 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.211 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.561 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -91.72 -37.95 12.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.822 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.14 -34.97 74.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.93 -25.29 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.601 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -23.24 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.197 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 15' ' ' LEU . 59.5 mt -75.87 -46.85 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.043 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -87.72 -54.55 4.2 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 1 O-C-N 80.337 -26.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.763 0.316 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.415 ' C ' ' H ' ' A' ' 4' ' ' SER . 66.8 p-90 -117.11 11.64 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.35 19.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.267 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 2' ' ' TRP . 31.3 p -111.27 23.53 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.781 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.1 pp -127.02 -6.67 6.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -93.56 -35.54 12.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.345 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -53.49 -25.42 16.41 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.939 0.399 . . . . 0.0 111.012 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -108.33 -22.66 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.692 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 4.4 t80 -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.2 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 17.2 p30 -83.83 -17.1 42.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.558 179.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.531 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.3 mt -73.3 -32.9 39.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.07 4.03 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.023 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -93.87 -45.6 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.531 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -94.61 -40.39 9.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.774 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.08 -37.52 77.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.33 -30.05 71.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.249 0.547 . . . . 0.0 109.699 178.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -30.13 51.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.195 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 15' ' ' LEU . 49.0 mt -70.72 -47.92 60.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.066 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.47 -41.77 54.79 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 1 O-C-N 99.774 -14.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.829 0.347 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.499 ' HE3' HD21 ' A' ' 5' ' ' LEU . 68.0 p-90 -110.02 5.98 22.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.59 25.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.584 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.43 ' H ' ' C ' ' A' ' 2' ' ' TRP . 14.3 m -107.11 25.05 11.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.717 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.2 pp -127.07 0.91 6.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.382 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.424 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 5.8 p-90 -96.04 -32.51 12.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.603 0.239 . . . . 0.0 111.249 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.4 m120 -54.22 -27.43 34.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.157 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.524 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -104.77 -26.37 12.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.692 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -61.58 -29.33 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.695 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.0 -16.74 42.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.539 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 24.2 mt -73.19 -30.67 31.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -68.58 2.11 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.955 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 10' ' ' ASN . 77.6 m-20 -93.84 -49.22 5.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.539 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -89.63 -37.11 14.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.999 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.835 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.62 -36.58 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.35 -25.67 68.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.01 -29.73 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.094 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt -76.51 -70.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.049 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -70.7 -15.2 62.69 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 110.857 -7.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' HE3' HD21 ' A' ' 5' ' ' LEU . 50.4 p-90 -101.37 6.04 42.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.79 24.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' TRP . 15.1 m -122.97 23.02 9.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.068 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.565 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.9 pp -122.48 5.07 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.242 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 -100.23 -32.83 10.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -21.43 17.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -108.71 -27.18 9.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -64.51 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -9.26 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.141 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.629 HG22 ' HB3' ' A' ' 15' ' ' LEU . 25.0 mt -79.8 -29.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.842 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -65.52 -2.97 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.006 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -87.67 -47.61 8.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.7 p-90 -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.844 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -55.07 -35.71 64.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.6 -36.72 85.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.567 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.96 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.943 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.8 mt -76.47 -33.94 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.954 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -66.74 -74.55 0.11 Allowed 'General case' 0 C--O 1.249 1.078 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 119.288 0.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' HD3' ' H ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.752 0.31 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.45 ' HE3' HD21 ' A' ' 5' ' ' LEU . 49.8 p-90 -113.42 -1.99 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.436 ' H ' ' HD3' ' A' ' 1' ' ' LYS . . . -78.2 23.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.283 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.7 p -116.99 26.64 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.066 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.45 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.9 pp -120.81 -8.14 9.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.429 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -98.46 -34.36 10.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -19.46 6.38 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.27 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -112.58 -25.41 9.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.653 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -65.13 -24.41 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.326 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 p30 -89.75 -7.99 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.16 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.724 HG22 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -84.96 -29.21 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.974 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.68 -0.85 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -91.2 -44.37 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.612 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.47 -39.76 9.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.03 -36.28 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.325 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.28 -29.55 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.629 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -33.02 53.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.7 mt -69.47 -52.42 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.213 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -64.64 -12.63 47.87 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 1 O-C-N 66.122 -35.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.841 0.353 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.451 ' C ' ' H ' ' A' ' 4' ' ' SER . 67.2 p-90 -91.46 2.46 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.79 22.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.611 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 2' ' ' TRP . 1.4 m -109.48 32.42 5.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.562 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -133.24 3.16 3.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.276 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -106.15 -29.52 9.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.719 0.295 . . . . 0.0 111.16 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -22.5 14.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.239 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.534 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -113.35 -25.68 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.667 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 2.0 t80 -62.02 -22.53 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -92.81 -19.58 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.679 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.551 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.2 mt -70.49 -33.57 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -66.27 -1.05 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -91.51 -45.84 8.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.37 -40.38 9.97 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.1 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.65 -37.62 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.03 -28.7 69.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.616 178.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -27.31 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.127 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 15' ' ' LEU . 56.8 mt -75.98 -36.53 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -94.0 -45.16 7.72 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 1 O-C-N 84.455 -23.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.416 ' C ' ' H ' ' A' ' 4' ' ' SER . 67.7 p-90 -83.98 12.02 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.84 27.94 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.585 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -102.87 30.72 4.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 110.856 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.631 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.5 pp -132.85 -12.45 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -94.04 -27.12 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.096 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -24.03 9.77 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.904 0.383 . . . . 0.0 111.029 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.522 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -115.43 -23.93 8.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.485 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.631 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 2.4 t80 -64.84 -21.97 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.41 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -17.79 33.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.231 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.586 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 18.2 mt -74.35 -31.36 28.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.472 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -67.49 1.83 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.26 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.3 m120 -94.28 -45.74 7.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.586 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -94.41 -40.84 9.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.823 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.3 -36.08 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.396 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -30.12 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 109.646 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.03 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.078 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 15' ' ' LEU . 42.7 mt -73.4 -63.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.026 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -61.23 -28.72 69.36 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.778 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 1 O-C-N 102.469 -12.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.483 ' HD3' ' H ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.828 0.347 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.483 ' H ' ' HD3' ' A' ' 1' ' ' LYS . 64.5 p-90 -86.76 6.92 29.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.83 5.62 1.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.562 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 32.2 t -85.11 21.61 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.167 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -122.5 -4.61 8.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -111.79 -32.01 6.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.519 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -56.65 -18.55 12.55 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.724 0.297 . . . . 0.0 111.184 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -113.15 -24.96 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -64.98 -22.03 66.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -94.41 -5.3 46.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.45 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.666 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.8 mt -86.47 -30.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -64.71 -3.02 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 36.0 m120 -88.21 -42.08 12.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.239 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -99.44 -41.42 7.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.34 -35.72 67.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.931 0.396 . . . . 0.0 109.937 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.95 -32.83 74.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.555 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -33.26 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.292 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 15' ' ' LEU . 55.0 mt -67.03 -44.7 88.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.259 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -77.73 -49.48 14.34 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 1 O-C-N 109.164 -8.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.763 0.316 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -133.41 12.25 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.18 18.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.566 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.409 ' C ' HD21 ' A' ' 7' ' ' ASN . 6.2 m -125.52 43.07 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.151 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.3 pp -135.46 -26.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -74.21 -28.93 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.039 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.409 HD21 ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -59.19 -21.75 59.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.215 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.506 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -115.24 -29.75 6.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.7 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 4.6 t80 -64.0 -21.6 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.213 179.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.558 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 29.1 mt -74.49 -31.09 26.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.663 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -68.17 0.7 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -90.71 -44.39 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.558 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.91 -39.11 9.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.938 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.904 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.21 -35.71 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.69 -29.48 70.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -25.35 51.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.8 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 15' ' ' LEU . 48.8 mt -76.21 -69.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.073 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -68.62 -21.19 64.5 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 1 O-C-N 102.434 -12.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -100.03 0.87 41.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.55 21.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.697 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.459 ' HA ' HD22 ' A' ' 7' ' ' ASN . 4.5 m -100.04 31.91 3.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.778 0.323 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -126.39 -31.46 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -71.2 -25.38 62.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.356 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.459 HD22 ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -55.43 -27.26 46.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 110.845 -179.73 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.535 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -116.67 -24.82 7.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.638 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -65.1 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.41 179.725 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -12.13 31.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.599 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.0 mt -78.41 -30.24 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.83 -2.02 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.14 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -90.94 -48.06 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.345 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.4 p-90 -93.67 -36.99 12.07 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.519 0.199 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.922 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.3 -35.01 74.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -66.31 -24.06 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.616 179.026 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -80.24 -30.46 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.4 mt -71.84 -58.44 5.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.093 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -80.69 6.29 13.23 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 O-C-N 120.53 -1.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.852 0.358 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.645 ' HE3' HD21 ' A' ' 5' ' ' LEU . 52.0 p-90 -83.23 -1.07 52.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.37 27.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.503 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 2' ' ' TRP . 19.6 m -112.16 30.81 6.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.645 HD21 ' HE3' ' A' ' 2' ' ' TRP . 2.2 pp -128.22 -0.37 5.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -95.91 -36.08 11.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.855 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.34 -20.82 20.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -108.74 -23.54 11.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.556 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 2.9 t80 -64.18 -28.18 69.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -85.74 -10.69 55.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.313 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -80.81 -28.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.448 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.67 0.61 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -92.85 -43.75 8.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.427 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.57 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.07 -35.75 10.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.607 0.241 . . . . 0.0 111.098 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.842 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -62.14 -33.42 74.46 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.48 -22.78 66.2 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.735 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.83 -30.04 24.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.025 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.9 mt -72.11 -53.11 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -39.0 15.95 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 1 O-C-N 75.952 -29.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.445 ' HE3' HD21 ' A' ' 5' ' ' LEU . 57.9 p-90 -91.27 16.35 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.68 21.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.453 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.5 m -127.44 44.83 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.3 pp -138.83 -19.47 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.182 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -83.93 -35.29 24.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.973 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -21.5 20.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.402 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.529 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -112.83 -20.83 11.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.743 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 4.3 t80 -66.03 -23.37 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.319 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -90.08 -11.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.315 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.753 HG22 ' HB3' ' A' ' 15' ' ' LEU . 16.6 mt -82.43 -28.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -65.11 -1.31 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.178 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -91.38 -46.16 8.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.258 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.609 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.65 -41.1 9.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.98 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.753 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.82 -36.01 71.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -62.94 -29.87 71.13 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -34.64 55.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.9 mt -70.1 -38.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.65 -43.56 16.79 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 1 O-C-N 75.664 -29.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.786 0.327 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -108.33 17.08 22.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.92 19.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.785 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.7 m -107.82 30.74 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 0.0 111.001 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.97 -10.94 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.946 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.503 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 9.4 p-90 -96.54 -29.49 13.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -21.54 15.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.733 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.538 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.3 p-90 -111.38 -24.28 10.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.503 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -63.88 -24.41 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.354 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.4 p30 -86.09 -10.76 54.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.598 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.7 mt -81.71 -29.21 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -67.35 1.82 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -94.26 -46.21 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.598 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.5 -39.8 10.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.848 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.449 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.84 -27.4 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.769 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -28.07 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.178 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 15' ' ' LEU . 33.1 mt -73.93 -42.94 53.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -85.17 -21.62 29.12 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 O-C-N 118.725 -2.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.802 0.334 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.628 ' HE3' HD21 ' A' ' 5' ' ' LEU . 54.2 p-90 -93.79 16.58 13.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.06 28.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.41 18.39 14.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.92 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.628 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.3 pp -119.43 -8.28 10.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.672 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -86.08 -30.1 22.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.596 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.7 m-20 -52.32 -58.57 6.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.479 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -68.07 -31.52 71.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.129 179.342 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -63.83 -22.31 66.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -93.96 -17.08 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.936 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 7' ' ' ASN . 31.3 mt -72.05 -30.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.2 -2.67 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.988 179.423 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.33 -49.46 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.505 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -91.77 -41.1 10.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.54 -35.39 68.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.57 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.557 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.64 -35.35 80.75 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.734 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -33.95 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 15' ' ' LEU . 18.6 mt -73.43 -33.1 39.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.842 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -80.65 0.1 Allowed 'General case' 0 C--O 1.249 1.055 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 119.256 0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.752 0.31 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.416 ' HE3' HD21 ' A' ' 5' ' ' LEU . 42.6 p-90 -153.52 26.55 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 29.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p -122.08 29.34 7.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -129.63 -33.81 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.996 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -63.45 -27.81 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.279 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.557 ' O ' HG13 ' A' ' 11' ' ' ILE . 7.7 m120 -53.86 -56.01 21.49 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 111.176 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HA ' ' CD1' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -86.05 -21.78 27.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.482 -179.429 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 18.7 t80 -63.82 -28.09 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -91.92 -8.57 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 7' ' ' ASN . 32.8 mt -80.32 -30.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.19 -5.46 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -87.09 -50.39 6.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.484 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.533 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -89.98 -39.17 13.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.16 -179.71 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.796 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.47 -34.0 70.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.22 -33.76 76.54 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.616 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -32.17 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.011 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 15' ' ' LEU . 25.2 mt -75.6 -26.37 18.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.848 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -76.95 -71.11 0.42 Allowed 'General case' 0 C--O 1.248 0.994 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 1 O-C-N 89.616 -20.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.562 ' HE3' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.51 ' H ' ' HD2' ' A' ' 1' ' ' LYS . 64.7 p-90 -92.47 16.01 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.562 ' HB2' ' HE3' ' A' ' 1' ' ' LYS . . . -77.27 21.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.254 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -108.38 22.35 16.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.45 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.4 pp -126.59 -10.74 6.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.5 p-90 -94.75 -26.95 16.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.729 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.8 p-10 -54.77 -29.72 54.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.8 p-90 -103.72 -23.92 13.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.783 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.6 OUTLIER -65.71 -24.54 67.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.946 0.403 . . . . 0.0 110.21 179.482 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 11.3 p30 -89.96 -6.37 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.707 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.746 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.1 mt -86.08 -26.85 6.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.87 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -64.48 -2.43 2.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.312 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -88.58 -42.94 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.598 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -99.7 -39.55 8.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.054 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.746 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.75 -33.96 69.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.99 -30.63 71.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -25.0 48.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.1 mt -79.02 -48.45 21.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -64.83 -46.68 80.92 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.07 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 1 O-C-N 110.946 -7.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.793 0.33 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -83.64 2.11 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.48 23.03 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.478 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -102.77 33.02 3.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -132.15 -19.68 2.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.302 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 9.5 p-90 -89.63 -27.7 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.174 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -53.93 -33.85 57.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.48 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 -102.67 -21.02 14.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.04 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.6 OUTLIER -64.08 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 0.0 110.292 179.477 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.71 -16.14 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.86 179.267 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.738 HG22 ' HB3' ' A' ' 15' ' ' LEU . 25.5 mt -77.07 -26.62 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.914 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -62.84 -6.15 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 179.794 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.15 -48.09 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.511 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.585 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.62 -41.86 9.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.262 -179.733 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.769 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -54.74 -34.0 61.9 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.47 -37.55 87.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 178.903 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -29.6 68.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.034 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 15' ' ' LEU . 31.1 mt -75.88 -28.12 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.919 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HD3' HD12 ' A' ' 15' ' ' LEU . 2.3 mptm? -80.31 -26.76 38.65 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.793 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 1 O-C-N 70.439 -32.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.8 tttt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.755 0.312 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -87.72 15.75 6.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.43 24.78 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.688 -179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.2 p -102.76 22.12 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 179.767 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -124.21 -30.0 3.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.421 ' O ' ' HB3' ' A' ' 10' ' ' ASN . 2.5 p-90 -68.78 -24.48 64.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.496 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -25.66 37.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.36 . . . . 0.0 111.258 -179.582 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.538 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 -123.49 -26.48 4.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.769 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 7.6 t80 -65.36 -22.71 66.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.167 179.576 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -88.12 -16.82 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.355 179.659 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.634 HG22 ' HB3' ' A' ' 15' ' ' LEU . 17.2 mt -75.43 -32.45 25.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.042 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.508 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -64.8 -2.05 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.39 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.33 -45.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.12 -41.36 9.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.18 -37.9 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.83 -32.1 73.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.269 0.557 . . . . 0.0 109.747 179.071 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -30.51 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.7 mt -72.27 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.112 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -68.26 -70.41 0.26 Allowed 'General case' 0 C--O 1.249 1.052 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 118.291 -2.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.761 0.315 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.409 ' HE3' HD21 ' A' ' 5' ' ' LEU . 62.0 p-90 -108.09 17.57 22.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.68 22.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.406 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.92 27.59 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.409 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.8 pp -130.82 -10.82 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 9.6 p-90 -95.41 -25.88 16.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -55.1 -26.25 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.597 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.49 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.6 p-90 -104.77 -23.82 12.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.395 -179.418 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -65.29 -24.08 67.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.401 . . . . 0.0 110.245 179.574 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -90.3 -10.24 44.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.399 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.0 mt -83.44 -28.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -65.78 -0.83 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.282 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -92.86 -46.32 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -94.82 -38.84 10.56 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.812 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.32 -34.95 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.409 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.25 -23.87 66.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.62 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -25.91 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.103 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt -78.91 -59.07 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -56.48 20.86 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 1 O-C-N 112.969 -6.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.701 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.707 0.289 . . . . 0.0 111.13 . . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.462 ' HE3' HD21 ' A' ' 5' ' ' LEU . 50.9 p-90 -74.76 13.84 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.316 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.701 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . . . -78.4 29.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.248 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 59.6 m -141.32 53.62 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.984 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.462 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.7 pp -144.91 -16.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 11.1 p-90 -95.41 -32.28 12.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.834 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -55.46 -23.09 23.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.406 -179.532 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -104.28 -23.34 13.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -61.45 -25.39 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 179.777 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -93.14 -9.63 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 15' ' ' LEU . 23.3 mt -82.08 -29.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.25 -5.31 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.26 179.745 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.46 -45.31 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -97.7 -39.68 8.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.202 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.876 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.15 -32.74 64.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.414 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -64.7 -36.66 85.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.627 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -66.9 -26.4 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.905 179.051 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 15' ' ' LEU . 6.4 mt -89.79 -26.02 5.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.62 20.06 16.86 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.978 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 120.337 -1.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.813 0.34 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.597 ' HE3' HD21 ' A' ' 5' ' ' LEU . 38.3 p-90 -83.71 3.73 31.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.0 9.07 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.408 ' C ' HD21 ' A' ' 7' ' ' ASN . 2.8 m -105.82 27.47 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 2' ' ' TRP . 4.1 pp -124.04 -14.58 7.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.14 179.758 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.4 p-90 -91.59 -29.71 16.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.196 -179.802 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.408 HD21 ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -52.45 -24.41 7.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.512 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -110.91 -26.18 9.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.556 179.702 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -63.41 -24.53 67.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 110.133 179.605 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.42 -14.65 45.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.004 179.249 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' ' 8' ' ' TRP . 32.6 mt -75.27 -31.31 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.774 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -70.89 1.91 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -90.16 -44.96 9.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.975 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 1.1 p-90 -96.48 -38.82 9.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.14 -34.73 72.41 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.34 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.96 -36.28 83.89 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.692 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -31.72 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.442 178.875 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.867 HD12 ' HA ' ' A' ' 15' ' ' LEU . 37.2 mt -73.37 -31.91 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.852 179.621 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -47.98 32.69 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.826 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 1 O-C-N 93.886 -18.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.803 0.335 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -80.79 -8.37 59.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.71 8.76 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.597 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.461 ' HA ' HD22 ' A' ' 7' ' ' ASN . 1.8 m -98.3 34.39 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.986 179.886 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.5 pp -125.5 -21.66 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 179.793 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -79.6 -27.23 41.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.347 -179.603 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.461 HD22 ' HA ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -53.04 -26.72 16.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.358 . . . . 0.0 111.155 -179.644 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -114.74 -27.64 7.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.775 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.582 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -61.6 -24.9 66.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 179.745 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.1 OUTLIER -88.59 -19.05 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 HG22 HD23 ' A' ' 15' ' ' LEU . 28.4 mt -70.13 -35.93 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.027 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -67.18 0.63 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.335 179.788 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 2.7 m-80 -92.52 -50.68 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 1.9 p-90 -88.31 -39.42 14.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.053 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.971 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.93 -37.17 78.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.567 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.23 -29.41 69.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.672 179.075 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -30.71 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.146 179.492 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.971 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.3 mt -67.36 -41.06 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.979 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HD2' HD12 ' A' ' 15' ' ' LEU . 3.7 mttm -67.34 -57.48 6.55 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 116.739 -3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.766 0.317 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -91.86 -0.68 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.59 23.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.449 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.51 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 20.3 p -100.74 30.98 3.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -127.91 -15.73 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 3.1 p-90 -95.63 -29.17 14.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.073 -179.865 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.51 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -54.63 -21.45 10.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.312 -179.738 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.454 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -109.48 -26.38 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -63.59 -26.12 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.052 0.453 . . . . 0.0 109.953 179.513 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -89.97 15.92 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.978 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 15' ' ' LEU . 14.8 mt -110.53 -28.15 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -61.45 -5.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.68 7.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.25 -179.825 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 2.5 p-90 -89.74 -41.59 11.8 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.244 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.932 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.19 -35.4 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.096 179.664 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -67.09 -32.13 73.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.153 0.501 . . . . 0.0 109.718 179.012 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -30.13 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 15' ' ' LEU . 47.3 mt -68.76 -42.97 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -83.0 -65.5 1.0 Allowed 'General case' 0 C--O 1.249 1.043 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 1 O-C-N 111.275 -7.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.765 0.317 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.41 ' C ' ' H ' ' A' ' 4' ' ' SER . 66.9 p-90 -109.96 5.48 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.05 12.89 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.504 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 2' ' ' TRP . 69.1 m -106.14 21.54 17.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.3 pp -122.42 -3.96 8.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.592 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -89.1 -30.87 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -24.29 21.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.643 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.499 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -109.89 -27.68 9.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.596 179.712 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -64.01 -25.34 68.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.933 0.397 . . . . 0.0 110.137 179.57 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -83.74 -17.35 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.845 179.154 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.563 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.7 mt -74.45 -32.48 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.718 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.64 3.72 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -94.26 -45.57 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.809 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.563 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.33 -41.18 9.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.915 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.01 -37.56 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.372 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -29.64 70.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.618 179.032 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -30.12 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.055 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.915 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.3 mt -71.41 -52.84 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.945 179.661 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -67.56 -35.41 78.98 Favored 'General case' 0 C--O 1.249 1.062 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.813 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 120.204 -1.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 tttt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.801 0.334 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.632 ' HE3' HD21 ' A' ' 5' ' ' LEU . 29.0 p-90 -91.74 -2.91 56.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.59 25.32 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.315 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.595 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 1.0 OUTLIER -133.14 15.92 4.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.731 0.301 . . . . 0.0 111.58 179.912 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.632 HD21 ' HE3' ' A' ' 2' ' ' TRP . 4.3 pp -99.28 -20.01 16.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.113 0.482 . . . . 0.0 109.779 178.8 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.466 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 11.0 p-90 -88.08 -23.65 23.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.76 178.957 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.595 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 15.8 m120 -53.29 -27.9 25.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.458 -179.682 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.531 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -105.63 -25.63 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.017 -179.609 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.466 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -62.41 -26.57 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.4 179.829 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.1 p30 -88.01 -9.96 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.351 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.778 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.1 mt -84.07 -28.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.023 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.32 -1.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.473 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -91.59 -45.07 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.165 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.616 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.96 -41.39 8.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.878 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.37 -35.89 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 109.874 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.16 -33.74 76.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.668 179.029 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -30.11 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.834 179.111 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt -75.7 -38.23 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.942 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -15.28 55.87 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.811 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 O-C-N 119.025 -2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.438 ' C ' ' H ' ' A' ' 4' ' ' SER . 69.0 p-90 -79.88 11.66 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.277 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.39 27.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.76 0.314 . . . . 0.0 111.533 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 2' ' ' TRP . 50.6 m -117.6 26.75 9.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.76 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -129.17 4.64 5.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -109.95 -32.55 7.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -54.84 -21.68 12.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.864 0.364 . . . . 0.0 111.049 -179.744 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.428 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -107.59 -28.7 9.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.519 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -27.03 67.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -16.92 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.443 179.565 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 15' ' ' LEU . 35.9 mt -73.57 -34.4 41.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.885 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -69.43 5.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 179.642 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.32 -50.9 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.588 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 4.8 p-90 -87.57 -41.36 13.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.752 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.98 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.84 -40.66 84.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.382 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.1 -29.0 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.077 179.351 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -22.26 53.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.897 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.98 HD12 ' HA ' ' A' ' 15' ' ' LEU . 28.6 mt -77.27 -46.08 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.016 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -28.34 25.0 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 1 O-C-N 112.992 -6.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.779 0.323 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.597 ' HE3' HD21 ' A' ' 5' ' ' LEU . 60.8 p-90 -89.4 19.46 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.83 30.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.234 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.5 p -121.31 38.31 4.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.3 pp -140.93 -3.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.047 179.879 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -106.21 -33.44 7.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.07 -19.18 17.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.149 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.482 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -109.97 -30.49 7.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -22.22 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.672 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -12.84 36.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.209 179.429 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.614 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -79.25 -30.6 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.11 2.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.302 179.92 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.45 -45.36 7.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.614 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.65 -38.08 11.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.975 -179.907 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.832 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.46 -38.68 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.403 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.35 -25.82 68.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.667 179.19 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.37 -32.67 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.28 179.636 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 15' ' ' LEU . 53.3 mt -65.37 -60.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -62.97 -30.88 71.92 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 O-C-N 117.611 -3.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.512 ' HE3' ' HD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.797 0.332 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.512 ' HD1' ' HE3' ' A' ' 1' ' ' LYS . 28.8 p-90 -80.53 -2.99 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.763 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 24.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.264 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.5 p -98.72 26.97 5.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 1.6 pp -128.92 -10.18 4.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.233 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.406 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 2.9 p-90 -87.83 -30.28 20.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.321 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -53.34 -32.72 50.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.353 -179.651 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.1 p-90 -104.22 -20.78 13.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.783 -179.74 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.544 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.3 t80 -65.31 -26.33 68.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.447 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -88.36 -9.28 53.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.926 179.242 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.767 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.0 mt -84.67 -27.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.78 -1.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.347 179.839 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -91.55 -45.29 8.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.919 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -96.8 -39.36 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.962 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.57 -33.67 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.355 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.77 -33.27 75.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.453 178.759 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -30.12 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.967 179.108 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.962 HD12 ' HA ' ' A' ' 15' ' ' LEU . 13.0 mt -78.17 -62.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.923 179.751 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -63.55 -79.94 0.03 OUTLIER 'General case' 0 C--O 1.249 1.057 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 120.444 -1.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.805 0.336 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.418 ' HE3' HD21 ' A' ' 5' ' ' LEU . 64.2 p-90 -89.24 18.5 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.89 31.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.284 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -127.61 36.78 4.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.418 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.8 pp -134.5 -12.06 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -94.59 -30.62 14.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.116 -179.811 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.568 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.6 p-10 -53.35 -56.89 13.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.611 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.425 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.3 p-90 -67.35 -29.38 68.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -24.47 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.346 179.575 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.62 -16.6 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.766 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.3 mt -76.94 -29.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -65.91 -1.9 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.225 179.813 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -91.08 -42.79 10.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.181 -179.875 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.631 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -99.38 -41.09 7.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.883 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.57 -36.73 69.67 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.43 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -61.75 -35.33 77.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.463 178.816 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -67.66 -37.85 82.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.921 179.057 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 15' ' ' LEU . 11.9 mt -69.52 -32.81 54.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.782 179.6 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -60.07 2.57 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 1 O-C-N 93.29 -18.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.797 0.332 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.431 ' C ' ' H ' ' A' ' 4' ' ' SER . 67.6 p-90 -81.29 9.06 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.65 11.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.781 -179.718 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 2' ' ' TRP . 69.0 m -103.82 29.04 6.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.738 0.304 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.0 pp -131.64 -25.96 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.901 179.714 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' HA ' ' HB3' ' A' ' 9' ' ' PHE . 7.9 p-90 -74.18 -26.71 60.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.25 -179.737 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.73 39.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -116.02 -26.62 7.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.619 179.688 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 17.9 t80 -65.62 -21.0 66.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.549 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -13.28 31.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.237 179.442 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.568 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 37.5 mt -75.74 -29.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.595 179.6 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -69.49 -0.32 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -88.78 -40.73 12.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.568 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -101.21 -37.87 8.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.821 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.459 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.57 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -60.21 -28.31 67.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.738 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -30.67 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.837 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 15' ' ' LEU . 19.8 mt -82.87 -74.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -71.32 -0.5 10.22 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 1 O-C-N 61.354 -38.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.855 0.36 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.664 ' HE3' HD21 ' A' ' 5' ' ' LEU . 47.1 p-90 -118.65 9.45 12.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.94 30.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.377 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -118.72 26.13 9.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.047 179.925 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.664 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.9 pp -130.96 -5.08 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -94.39 -31.84 13.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.261 -179.765 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -24.92 33.58 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.849 0.357 . . . . 0.0 110.778 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.529 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -105.95 -27.39 11.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.493 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.4 t80 -63.13 -25.6 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 179.828 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.42 -14.53 40.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.193 179.52 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.2 mt -75.52 -29.23 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.129 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.05 -4.27 4.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.33 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -87.32 -45.65 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.258 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.589 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.68 -39.42 9.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.207 -179.718 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.23 -35.42 67.33 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.422 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.21 -35.01 77.59 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.614 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -70.41 -28.98 65.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.791 178.972 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.1 mt -80.05 -22.08 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -80.58 -56.79 3.92 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 1 O-C-N 75.566 -29.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -73.14 -6.13 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.812 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.46 13.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.472 -179.878 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.4 p -88.44 27.05 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -130.52 -0.93 4.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.55 -179.902 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.452 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.3 p-90 -107.43 -32.25 7.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.644 0.259 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -56.48 -19.57 15.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.95 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.494 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -106.31 -28.25 10.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -64.87 -24.3 67.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 110.441 179.878 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.85 -11.77 49.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.386 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.6 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.9 mt -79.91 -30.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.02 -1.6 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.677 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.59 -45.36 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.6 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -95.69 -40.33 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.012 179.935 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.789 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.39 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.435 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.503 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.86 -29.73 70.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.808 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -27.79 57.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.042 179.388 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 15' ' ' LEU . 17.9 mt -81.53 -68.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.952 179.802 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -33.8 59.49 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 119.202 0.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -84.79 9.91 12.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.55 2.02 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.201 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.441 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 41.2 m -99.56 30.71 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.172 -179.902 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.7 pp -128.27 -28.77 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.893 179.691 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -77.31 -28.54 53.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.067 -179.774 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.441 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -56.54 -24.21 45.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.993 -179.861 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -114.52 -27.01 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 179.809 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 13.5 t80 -64.91 -19.81 66.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.343 179.588 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -19.5 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.695 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.3 mt -72.13 -32.62 44.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -65.41 -1.3 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.251 179.864 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -91.86 -45.63 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -95.42 -41.94 8.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.51 -38.61 72.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.384 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.509 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.1 -30.88 71.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.632 179.168 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -30.05 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.173 179.462 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.0 mt -70.96 -52.9 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -20.59 60.75 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 117.725 -3.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 2' ' ' TRP . 4.7 tptp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.692 0.282 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.456 ' N ' ' HG3' ' A' ' 1' ' ' LYS . 68.4 p-90 -86.06 13.75 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.911 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.17 30.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.268 179.843 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.34 37.91 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.7 pp -135.16 -25.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.994 179.841 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -79.48 -30.59 42.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 -179.624 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.469 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.94 -39.01 58.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.354 -179.27 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.519 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -96.79 -26.61 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.891 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 6.4 t80 -60.06 -27.88 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -12.69 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.558 HG22 HD23 ' A' ' 15' ' ' LEU . 34.2 mt -73.32 -34.95 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.2 0.11 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.955 179.642 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -90.24 -51.8 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.496 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 4.5 p-90 -87.74 -40.29 14.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.042 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.731 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.24 -39.07 74.8 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.445 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.16 -30.26 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.117 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -21.0 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.719 179.156 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 15' ' ' LEU . 8.0 mt -96.07 -74.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.893 179.627 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -53.59 -73.28 0.05 OUTLIER 'General case' 0 C--O 1.249 1.041 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.047 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 119.374 0.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 mttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.839 0.352 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.4 ' HE3' HD21 ' A' ' 5' ' ' LEU . 64.5 p-90 -96.16 14.18 24.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.65 19.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.356 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' SER . . . . . 0.488 ' HA ' ' ND2' ' A' ' 7' ' ' ASN . 0.1 OUTLIER -114.17 22.39 13.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.086 -179.956 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.4 pp -119.2 -13.99 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 179.731 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.0 p-90 -90.34 -29.05 18.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' ASN . . . . . 0.65 ' O ' HG13 ' A' ' 11' ' ' ILE . 30.0 m-80 -56.46 -57.92 10.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.205 0.526 . . . . 0.0 110.229 179.538 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.411 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.1 p-90 -68.51 -27.31 66.0 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.769 179.648 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 3.1 t80 -62.24 -22.85 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.483 179.666 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -99.39 -17.75 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.406 179.636 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG13 ' O ' ' A' ' 7' ' ' ASN . 37.1 mt -72.98 -31.93 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -68.61 -1.17 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.004 179.667 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 8.5 m-80 -89.69 -45.14 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.2 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.545 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.46 -41.05 9.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.933 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.43 -37.21 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.55 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.75 -32.35 73.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 179.07 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -33.59 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.166 179.484 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 15' ' ' LEU . 20.4 mt -69.41 -32.48 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.995 179.768 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -77.69 -62.31 1.71 Allowed 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 1 O-C-N 95.028 -17.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.421 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.677 0.275 . . . . 0.0 111.057 . . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -69.64 5.01 1.57 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.536 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.421 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . . . -68.05 5.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.657 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.0 p -102.63 33.12 3.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.691 0.281 . . . . 0.0 111.327 -179.793 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.1 pp -129.99 -13.23 4.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.111 179.629 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -89.1 -31.7 17.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -22.3 18.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.127 -179.667 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -111.49 -24.43 10.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.652 179.88 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 5.5 t80 -64.34 -23.19 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.489 179.649 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 14.5 p30 -92.14 -14.85 28.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.646 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.698 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.1 mt -76.31 -31.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.974 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -63.63 -3.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.221 179.781 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -89.96 -46.28 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.408 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -95.19 -39.03 10.3 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.052 -179.863 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.746 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.52 -36.53 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.458 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 16' ' ' TRP . . . . . 0.477 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.6 -27.9 69.52 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.811 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.79 38.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.7 mt -71.47 -41.02 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.929 179.731 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.99 -18.47 60.37 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 119.268 0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.526 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.456 -0.164 0 CA-C-O 120.745 0.307 . . . . 0.0 110.638 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -60.38 -27.71 67.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -16.27 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.526 HG13 ' HA ' ' A' ' 8' ' ' TRP . 31.8 mt -72.58 -31.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.75 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -71.31 2.32 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -93.26 -46.76 7.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -92.13 -38.1 12.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.83 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.49 -34.78 74.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.94 -26.7 66.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.525 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -25.3 34.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.992 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.8 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.011 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.73 0.3 . . . . 0.0 110.585 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -65.55 -28.35 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.357 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -88.41 -3.89 58.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.118 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.577 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.4 mt -86.71 -29.3 5.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.859 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.33 1.66 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -91.65 -43.57 9.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.577 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.5 -38.92 9.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.928 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.883 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.09 -36.45 77.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.508 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.526 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.13 -27.49 68.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 179.098 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -29.41 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.162 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 15' ' ' LEU . 41.8 mt . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.179 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.786 0.327 . . . . 0.0 110.292 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -64.71 -22.84 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.258 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -14.09 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.298 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.551 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.5 mt -75.98 -29.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.75 0.56 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -91.38 -45.12 8.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.222 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.32 -37.49 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.032 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.914 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.47 -36.13 77.54 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.55 -27.01 68.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.465 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -33.42 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.166 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.5 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.074 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.506 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.912 0.387 . . . . 0.0 110.605 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -61.14 -27.88 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.806 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.17 -12.85 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.528 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.2 mt -76.43 -32.98 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.984 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.93 -2.56 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.71 -50.64 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.528 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.6 p-90 -89.03 -40.89 12.67 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -65.44 -33.39 75.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.915 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -24.64 60.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.144 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.5 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.996 179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.554 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.834 0.349 . . . . 0.0 110.833 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -64.52 -25.25 67.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.419 179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -85.9 -9.11 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.294 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.561 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.5 mt -81.92 -30.28 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.21 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.3 1.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.406 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -93.3 -47.8 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.211 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.561 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -91.72 -37.95 12.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.822 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.14 -34.97 74.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.93 -25.29 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.601 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -23.24 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.197 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 15' ' ' LEU . 59.5 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.043 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 120.769 0.319 . . . . 0.0 110.692 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.2 179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' ' 13' ' ' ASN . 0.8 OUTLIER -83.83 -17.1 42.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.558 179.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.531 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.3 mt -73.3 -32.9 39.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.07 4.03 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.023 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.404 HD22 ' HA ' ' A' ' 10' ' ' ASN . 37.0 m-80 -93.87 -45.6 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.531 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -94.61 -40.39 9.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.774 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.08 -37.52 77.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.33 -30.05 71.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.249 0.547 . . . . 0.0 109.699 178.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -30.13 51.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.195 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 15' ' ' LEU . 49.0 mt . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.066 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.524 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.874 0.369 . . . . 0.0 110.692 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -61.58 -29.33 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.695 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.0 -16.74 42.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.539 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 24.2 mt -73.19 -30.67 31.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -68.58 2.11 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.955 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 10' ' ' ASN . 77.6 m-20 -93.84 -49.22 5.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.539 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -89.63 -37.11 14.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.999 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.835 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.62 -36.58 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.35 -25.67 68.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.01 -29.73 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.094 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.049 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.509 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.739 0.304 . . . . 0.0 110.756 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -64.51 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -9.26 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.141 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.629 HG22 ' HB3' ' A' ' 15' ' ' LEU . 25.0 mt -79.8 -29.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.842 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -65.52 -2.97 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.006 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -87.67 -47.61 8.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.7 p-90 -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.844 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -55.07 -35.71 64.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.6 -36.72 85.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.567 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.96 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.943 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.8 mt . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.954 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.743 0.306 . . . . 0.0 110.653 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -24.41 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.326 179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -89.75 -7.99 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.16 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.724 HG22 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -84.96 -29.21 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.974 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.68 -0.85 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -91.2 -44.37 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.612 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.47 -39.76 9.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.03 -36.28 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.325 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.28 -29.55 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.629 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -33.02 53.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.7 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.213 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.534 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.863 0.364 . . . . 0.0 110.667 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -62.02 -22.53 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -19.58 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.679 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.551 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.2 mt -70.49 -33.57 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -66.27 -1.05 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -91.51 -45.84 8.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.37 -40.38 9.97 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.1 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.65 -37.62 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.03 -28.7 69.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.616 178.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -27.31 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.127 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 15' ' ' LEU . 56.8 mt . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.173 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.522 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.801 0.334 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -64.84 -21.97 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.41 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -17.79 33.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.231 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.586 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 18.2 mt -74.35 -31.36 28.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.472 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -67.49 1.83 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.26 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -94.28 -45.74 7.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.586 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -94.41 -40.84 9.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.823 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.3 -36.08 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.396 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -30.12 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 109.646 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.03 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.078 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 15' ' ' LEU . 42.7 mt . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.026 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 N--CA 1.457 -0.122 0 CA-C-O 120.795 0.331 . . . . 0.0 110.667 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -64.98 -22.03 66.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 179.735 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -94.41 -5.3 46.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.45 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.666 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.8 mt -86.47 -30.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -64.71 -3.02 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -88.21 -42.08 12.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.239 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.623 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -99.44 -41.42 7.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.34 -35.72 67.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.931 0.396 . . . . 0.0 109.937 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.523 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.95 -32.83 74.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.555 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -33.26 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.292 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 15' ' ' LEU . 55.0 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.506 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.765 0.316 . . . . 0.0 110.7 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -64.0 -21.6 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.419 ' HA ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.213 179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.558 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 29.1 mt -74.49 -31.09 26.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.663 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -68.17 0.7 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.419 HD22 ' HA ' ' A' ' 10' ' ' ASN . 50.1 m-80 -90.71 -44.39 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.558 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.91 -39.11 9.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.938 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.904 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.21 -35.71 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.69 -29.48 70.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -25.35 51.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.8 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 15' ' ' LEU . 48.8 mt . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.073 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.535 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.802 0.334 . . . . 0.0 110.638 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -65.1 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.41 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -12.13 31.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.599 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.0 mt -78.41 -30.24 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.83 -2.02 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.14 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -90.94 -48.06 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.345 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.4 p-90 -93.67 -36.99 12.07 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.519 0.199 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.922 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.3 -35.01 74.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -66.31 -24.06 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.616 179.026 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -80.24 -30.46 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.4 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.093 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.517 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 0.0 110.556 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -64.18 -28.18 69.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -85.74 -10.69 55.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.313 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.57 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -80.81 -28.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.448 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.67 0.61 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.85 -43.75 8.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.427 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.57 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.07 -35.75 10.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.607 0.241 . . . . 0.0 111.098 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.842 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -62.14 -33.42 74.46 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.48 -22.78 66.2 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.83 -30.04 24.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.025 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.9 mt . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.153 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.529 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.731 0.3 . . . . 0.0 110.743 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -66.03 -23.37 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.319 179.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -90.08 -11.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.315 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.753 HG22 ' HB3' ' A' ' 15' ' ' LEU . 16.6 mt -82.43 -28.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -65.11 -1.31 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.178 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -91.38 -46.16 8.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.258 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.609 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.65 -41.1 9.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.98 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.753 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.82 -36.01 71.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -62.94 -29.87 71.13 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -34.64 55.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.9 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.098 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.538 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.3 p-90 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.764 0.316 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -63.88 -24.41 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.354 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -86.09 -10.76 54.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.598 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.7 mt -81.71 -29.21 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -67.35 1.82 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -94.26 -46.21 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.598 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.5 -39.8 10.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.848 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.449 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.84 -27.4 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.769 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -28.07 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.178 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 15' ' ' LEU . 33.1 mt . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.108 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.479 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.859 0.361 . . . . 0.0 110.129 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -63.83 -22.31 66.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -93.96 -17.08 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.936 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.525 HG22 HD23 ' A' ' 15' ' ' LEU . 31.3 mt -72.05 -30.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.2 -2.67 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.988 179.423 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.33 -49.46 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.505 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -91.77 -41.1 10.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.54 -35.39 68.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.57 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.557 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.64 -35.35 80.75 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -33.95 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 15' ' ' LEU . 18.6 mt . . . . . 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.842 179.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HA ' ' CD1' ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.455 -0.197 0 CA-C-O 120.543 0.211 . . . . 0.0 111.482 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -63.82 -28.09 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.92 -8.57 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.553 HG22 ' HB3' ' A' ' 15' ' ' LEU . 32.8 mt -80.32 -30.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.19 -5.46 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -87.09 -50.39 6.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.484 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.533 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -89.98 -39.17 13.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.16 -179.71 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.796 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.47 -34.0 70.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.22 -33.76 76.54 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -32.17 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.011 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 15' ' ' LEU . 25.2 mt . . . . . 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.848 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.8 p-90 . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.677 0.275 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -65.71 -24.54 67.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.946 0.403 . . . . 0.0 110.21 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -89.96 -6.37 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.707 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.746 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.1 mt -86.08 -26.85 6.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.87 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -64.48 -2.43 2.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.312 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -88.58 -42.94 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.598 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -99.7 -39.55 8.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.054 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.746 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.75 -33.96 69.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.99 -30.63 71.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -25.0 48.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.1 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.154 179.866 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.632 0.253 . . . . 0.0 111.04 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -64.08 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 0.0 110.292 179.477 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.71 -16.14 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.86 179.267 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.738 HG22 ' HB3' ' A' ' 15' ' ' LEU . 25.5 mt -77.07 -26.62 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.914 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -62.84 -6.15 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 179.794 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.15 -48.09 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.511 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.585 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.62 -41.86 9.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.262 -179.733 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.769 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -54.74 -34.0 61.9 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.47 -37.55 87.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 178.903 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -29.6 68.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.034 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 15' ' ' LEU . 31.1 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.919 179.736 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.538 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.79 0.329 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 7.6 t80 -65.36 -22.71 66.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.167 179.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.12 -16.82 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.355 179.659 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.634 HG22 ' HB3' ' A' ' 15' ' ' LEU . 17.2 mt -75.43 -32.45 25.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.042 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.508 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -64.8 -2.05 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.39 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.33 -45.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.12 -41.36 9.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.18 -37.9 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.83 -32.1 73.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.269 0.557 . . . . 0.0 109.747 179.071 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -30.51 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.7 mt . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.112 179.826 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.49 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.6 p-90 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.582 0.229 . . . . 0.0 111.395 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.29 -24.08 67.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.401 . . . . 0.0 110.245 179.574 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -90.3 -10.24 44.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.399 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.0 mt -83.44 -28.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -65.78 -0.83 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.282 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -92.86 -46.32 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -94.82 -38.84 10.56 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.812 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.32 -34.95 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.409 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.25 -23.87 66.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.62 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -25.91 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.103 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 179.783 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.815 0.34 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -61.45 -25.39 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 179.777 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -93.14 -9.63 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 15' ' ' LEU . 23.3 mt -82.08 -29.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.25 -5.31 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.26 179.745 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.46 -45.31 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -97.7 -39.68 8.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.202 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.876 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.15 -32.74 64.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.414 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -64.7 -36.66 85.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.627 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -66.9 -26.4 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.905 179.051 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 15' ' ' LEU . 6.4 mt . . . . . 0 C--N 1.331 -0.239 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.163 179.943 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.512 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.751 0.31 . . . . 0.0 110.556 . . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -63.41 -24.53 67.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 110.133 179.605 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.42 -14.65 45.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.004 179.249 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' ' 8' ' ' TRP . 32.6 mt -75.27 -31.31 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.774 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -70.89 1.91 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.16 -44.96 9.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.975 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 1.1 p-90 -96.48 -38.82 9.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.14 -34.73 72.41 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.34 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.96 -36.28 83.89 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.692 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -31.72 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.442 178.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.867 HD12 ' HA ' ' A' ' 15' ' ' LEU . 37.2 mt . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.852 179.621 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.745 0.307 . . . . 0.0 110.775 . . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -24.9 66.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 179.745 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.59 -19.05 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.57 HG22 HD23 ' A' ' 15' ' ' LEU . 28.4 mt -70.13 -35.93 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.027 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -67.18 0.63 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.335 179.788 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 2.7 m-80 -92.52 -50.68 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 1.9 p-90 -88.31 -39.42 14.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.053 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.971 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.93 -37.17 78.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.567 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.23 -29.41 69.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.672 179.075 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -30.71 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.146 179.492 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.971 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.3 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.979 179.907 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.454 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.63 0.252 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.59 -26.12 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.052 0.453 . . . . 0.0 109.953 179.513 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -89.97 15.92 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.978 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 15' ' ' LEU . 14.8 mt -110.53 -28.15 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -61.45 -5.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.68 7.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.25 -179.825 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.617 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 2.5 p-90 -89.74 -41.59 11.8 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.244 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.932 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.19 -35.4 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.096 179.664 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -67.09 -32.13 73.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.153 0.501 . . . . 0.0 109.718 179.012 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -30.13 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 15' ' ' LEU . 47.3 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.107 179.948 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.499 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 N--CA 1.456 -0.137 0 CA-C-O 120.642 0.258 . . . . 0.0 110.596 . . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.01 -25.34 68.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.933 0.397 . . . . 0.0 110.137 179.57 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.433 ' HA ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -83.74 -17.35 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.845 179.154 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.563 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.7 mt -74.45 -32.48 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.718 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.64 3.72 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' ' 10' ' ' ASN . 36.9 m-80 -94.26 -45.57 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.563 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.33 -41.18 9.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.915 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.01 -37.56 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.372 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -29.64 70.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.618 179.032 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -30.12 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.055 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.915 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.3 mt . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.945 179.661 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.531 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.666 0.269 . . . . 0.0 111.017 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.41 -26.57 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.4 179.829 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -88.01 -9.96 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.351 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.778 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.1 mt -84.07 -28.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.023 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.32 -1.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.473 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -91.59 -45.07 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.165 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.616 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.96 -41.39 8.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.878 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.37 -35.89 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 109.874 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.16 -33.74 76.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.668 179.029 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -30.11 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.834 179.111 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.942 179.713 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.428 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 N--CA 1.456 -0.136 0 CA-C-O 120.844 0.354 . . . . 0.0 110.519 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -27.03 67.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -16.92 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.443 179.565 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 15' ' ' LEU . 35.9 mt -73.57 -34.4 41.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.885 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -69.43 5.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 179.642 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.32 -50.9 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.588 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 4.8 p-90 -87.57 -41.36 13.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.752 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.98 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.84 -40.66 84.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.382 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.1 -29.0 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.077 179.351 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -22.26 53.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.897 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.98 HD12 ' HA ' ' A' ' 15' ' ' LEU . 28.6 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.016 179.741 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.482 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.718 0.294 . . . . 0.0 110.849 . . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -22.22 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.672 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -12.84 36.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.209 179.429 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.614 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -79.25 -30.6 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.11 2.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.302 179.92 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.45 -45.36 7.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.614 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.65 -38.08 11.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.975 -179.907 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.832 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.46 -38.68 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.403 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.35 -25.82 68.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.667 179.19 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.37 -32.67 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.28 179.636 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 15' ' ' LEU . 53.3 mt . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.006 179.957 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.5 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.1 p-90 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.729 0.299 . . . . 0.0 110.783 . . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -65.31 -26.33 68.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.447 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -88.36 -9.28 53.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.926 179.242 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.767 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.0 mt -84.67 -27.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.78 -1.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.347 179.839 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -91.55 -45.29 8.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -96.8 -39.36 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.962 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.57 -33.67 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.355 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.77 -33.27 75.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.453 178.759 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -30.12 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.967 179.108 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.962 HD12 ' HA ' ' A' ' 15' ' ' LEU . 13.0 mt . . . . . 0 C--N 1.33 -0.24 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.923 179.751 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.425 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.3 p-90 . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.672 0.272 . . . . 0.0 110.904 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -24.47 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.346 179.575 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.62 -16.6 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.766 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.3 mt -76.94 -29.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -65.91 -1.9 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.225 179.813 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -91.08 -42.79 10.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.181 -179.875 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.631 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -99.38 -41.09 7.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.883 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.57 -36.73 69.67 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.43 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -61.75 -35.33 77.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.463 178.816 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -67.66 -37.85 82.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.921 179.057 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 15' ' ' LEU . 11.9 mt . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.782 179.6 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.702 0.287 . . . . 0.0 110.619 . . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -65.62 -21.0 66.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.549 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -13.28 31.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.237 179.442 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.568 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 37.5 mt -75.74 -29.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.595 179.6 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -69.49 -0.32 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.78 -40.73 12.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.568 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -101.21 -37.87 8.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.821 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.459 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.57 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -60.21 -28.31 67.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.738 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -30.67 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.837 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 15' ' ' LEU . 19.8 mt . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.116 179.861 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.529 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.455 -0.18 0 CA-C-O 120.763 0.316 . . . . 0.0 110.723 . . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -63.13 -25.6 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 179.828 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.42 -14.53 40.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.193 179.52 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.2 mt -75.52 -29.23 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.129 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.05 -4.27 4.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.33 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -87.32 -45.65 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.258 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.589 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.68 -39.42 9.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.207 -179.718 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.707 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.23 -35.42 67.33 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.422 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.21 -35.01 77.59 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.614 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -70.41 -28.98 65.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.791 178.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.1 mt . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.989 179.91 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.494 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 . . . . . 0 N--CA 1.456 -0.128 0 CA-C-O 120.685 0.279 . . . . 0.0 110.91 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.87 -24.3 67.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 110.441 179.878 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.85 -11.77 49.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.386 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.6 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.9 mt -79.91 -30.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.02 -1.6 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.677 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.59 -45.36 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.6 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -95.69 -40.33 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.012 179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.789 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.39 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.435 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.503 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.86 -29.73 70.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.808 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -27.79 57.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.042 179.388 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 15' ' ' LEU . 17.9 mt . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.952 179.802 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.765 0.316 . . . . 0.0 110.583 . . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -64.91 -19.81 66.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.343 179.588 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -19.5 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.695 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.3 mt -72.13 -32.62 44.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -65.41 -1.3 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.251 179.864 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -91.86 -45.63 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -95.42 -41.94 8.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.707 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.51 -38.61 72.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.384 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.509 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.1 -30.88 71.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.632 179.168 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -30.05 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.173 179.462 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.0 mt . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.138 179.965 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.519 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.855 0.36 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -60.06 -27.88 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 -179.957 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -12.69 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.558 HG22 HD23 ' A' ' 15' ' ' LEU . 34.2 mt -73.32 -34.95 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.2 0.11 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.955 179.642 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -90.24 -51.8 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.496 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 4.5 p-90 -87.74 -40.29 14.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.042 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.731 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.24 -39.07 74.8 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.445 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.16 -30.26 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.117 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -21.0 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.719 179.156 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 15' ' ' LEU . 8.0 mt . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.893 179.627 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.411 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.1 p-90 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.9 0.381 . . . . 0.0 110.769 . . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -62.24 -22.85 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.483 179.666 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -99.39 -17.75 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.406 179.636 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.554 HG22 HD23 ' A' ' 15' ' ' LEU . 37.1 mt -72.98 -31.93 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -68.61 -1.17 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.004 179.667 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 8.5 m-80 -89.69 -45.14 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.2 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.545 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.46 -41.05 9.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.933 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.43 -37.21 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.55 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.75 -32.35 73.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 179.07 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -33.59 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.166 179.484 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 15' ' ' LEU . 20.4 mt . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.995 179.768 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.767 0.318 . . . . 0.0 110.652 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -64.34 -23.19 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.489 179.649 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.457 HD22 ' HE1' ' A' ' 14' ' ' TRP . 1.1 p-10 -92.14 -14.85 28.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.646 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.698 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.1 mt -76.31 -31.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.974 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -63.63 -3.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.221 179.781 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -89.96 -46.28 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.408 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -95.19 -39.03 10.3 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.052 -179.863 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.746 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.52 -36.53 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.458 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' TRP . . . . . 0.477 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.6 -27.9 69.52 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.811 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.79 38.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.7 mt . . . . . 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.929 179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.369 0 CA-C-O 120.869 0.366 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.403 ' C ' ' H ' ' A' ' 4' ' ' SER . 60.6 p-90 -106.95 18.19 22.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.84 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 30.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.299 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.403 ' H ' ' C ' ' A' ' 2' ' ' TRP . 58.4 m -129.08 43.29 3.17 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.993 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.5 pp -140.42 -26.28 0.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.846 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 21.9 p-90 -77.3 -29.3 53.66 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.198 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.14 -29.52 31.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.026 -179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.526 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -110.02 -26.06 9.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.638 179.802 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.544 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 5.8 t80 -60.38 -27.71 67.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.617 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.68 -16.27 39.64 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.505 179.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.526 HG13 ' HA ' ' A' ' 8' ' ' TRP . 31.8 mt -72.58 -31.38 37.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.75 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.439 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -71.31 2.32 4.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.817 179.605 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -93.26 -46.76 7.24 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.222 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.496 ' O ' HG13 ' A' ' 18' ' ' ILE . 0.8 OUTLIER -92.13 -38.1 12.36 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.621 -0.263 . . . . 0.0 111.146 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.83 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.49 -34.78 74.56 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.893 -0.41 . . . . 0.0 109.893 179.385 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.439 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.94 -26.7 66.97 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.525 178.92 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.06 -25.3 34.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.992 179.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.83 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.8 mt -73.36 -58.98 3.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.793 -0.639 . . . . 0.0 111.011 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.7 mttp -78.28 -66.04 0.9 Allowed 'General case' 0 C--O 1.25 1.088 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.903 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.356 1 O-C-N 95.479 -17.013 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.806 0.336 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.569 ' HE3' HD21 ' A' ' 5' ' ' LEU . 48.4 p-90 -119.89 13.27 12.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.778 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.74 29.42 0.26 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.17 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -126.66 27.03 6.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.039 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.569 HD21 ' HE3' ' A' ' 2' ' ' TRP . 4.0 pp -129.19 -11.24 4.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.967 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.448 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.9 p-90 -96.71 -36.5 10.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.029 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.93 -21.89 13.18 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.025 -179.685 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -106.51 -21.07 13.18 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.585 179.742 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 1.0 OUTLIER -65.55 -28.35 69.1 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.357 179.625 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -88.41 -3.89 58.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.118 179.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.577 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.4 mt -86.71 -29.3 5.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.859 179.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.526 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.33 1.66 2.8 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.131 179.731 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.1 m-80 -91.65 -43.57 9.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.577 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.5 -38.92 9.81 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.928 179.916 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.883 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.09 -36.45 77.45 Favored 'General case' 0 C--N 1.329 -0.283 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 179.508 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.526 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.13 -27.49 68.77 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.696 179.098 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -80.0 -29.41 39.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.34 -0.846 . . . . 0.0 110.162 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 15' ' ' LEU . 41.8 mt -71.27 -51.29 35.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.179 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -83.97 -2.19 56.11 Favored 'General case' 0 C--O 1.249 1.055 0 CA-C-O 118.026 -0.988 . . . . 0.0 111.024 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 119.194 0.906 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.791 0.329 . . . . 0.0 111.213 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.583 ' HE3' HD21 ' A' ' 5' ' ' LEU . 56.6 p-90 -127.19 17.29 7.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.006 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.52 21.19 0.65 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.495 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -112.17 23.54 13.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.957 179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.588 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.0 pp -126.78 -22.89 3.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.135 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.9 p-90 -78.2 -27.28 47.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.145 -179.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.25 -24.54 28.42 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.906 0.384 . . . . 0.0 110.794 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -114.51 -27.13 7.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.292 179.453 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.588 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -64.71 -22.84 67.07 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.258 179.452 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -89.08 -14.09 37.12 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.298 179.519 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.551 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.5 mt -75.98 -29.7 20.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.785 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.75 0.56 4.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.031 179.77 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -91.38 -45.12 8.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.222 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -96.32 -37.49 10.48 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.032 -179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.914 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.47 -36.13 77.54 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.588 -0.523 . . . . 0.0 109.588 179.356 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.55 -27.01 68.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.847 -0.615 . . . . 0.0 109.465 178.776 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -78.96 -33.42 45.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.166 179.426 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.914 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.5 mt -68.24 -66.01 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.074 179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 25.1 mttp -72.47 -39.79 67.46 Favored 'General case' 0 C--O 1.248 1.006 0 CA-C-O 118.063 -0.97 . . . . 0.0 111.039 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.374 1 O-C-N 112.643 -6.286 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.0 mmtp . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.768 0.318 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.593 ' HE3' HD21 ' A' ' 5' ' ' LEU . 34.1 p-90 -75.84 -0.31 20.73 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.881 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.15 27.58 0.24 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.062 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -131.77 34.44 3.88 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.083 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.593 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.9 pp -127.29 -2.22 6.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.926 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.407 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 12.6 p-90 -102.33 -33.24 9.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.01 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.08 -22.41 16.13 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.119 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.506 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -107.35 -26.34 11.04 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.605 179.73 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.407 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 1.3 t80 -61.14 -27.88 68.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.806 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.3 p-10 -89.17 -12.85 39.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.798 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.528 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.2 mt -76.43 -32.98 22.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.984 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.93 -2.56 2.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.165 179.711 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -90.71 -50.64 5.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.528 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.6 p-90 -89.03 -40.89 12.67 Favored 'General case' 0 C--N 1.333 -0.143 0 C-N-CA 121.113 -0.235 . . . . 0.0 111.056 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.829 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.74 -37.02 70.42 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.75 -0.463 . . . . 0.0 109.75 179.503 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -65.44 -33.39 75.83 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.915 179.123 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -73.28 -24.64 60.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.421 -0.809 . . . . 0.0 110.144 179.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.829 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.5 mt -76.87 -36.89 26.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.996 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -94.73 -2.45 51.07 Favored 'General case' 0 C--O 1.248 1.023 0 CA-C-O 118.077 -0.963 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 1 O-C-N 84.264 -24.023 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.5 tttm . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.762 0.315 . . . . 0.0 111.187 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.562 ' HE3' HD21 ' A' ' 5' ' ' LEU . 61.1 p-90 -80.32 14.39 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.8 18.3 0.48 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.489 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.6 m -108.05 24.02 13.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.006 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.562 HD21 ' HE3' ' A' ' 2' ' ' TRP . 4.1 pp -125.79 -22.29 4.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.979 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.7 p-90 -79.99 -33.77 39.11 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.242 -179.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -50.87 -26.8 6.27 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.389 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.554 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -111.22 -23.28 10.94 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.833 179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.517 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.9 OUTLIER -64.52 -25.25 67.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.419 179.585 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -85.9 -9.11 57.47 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.294 179.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.561 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 22.5 mt -81.92 -30.28 10.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.21 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -66.3 1.19 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.406 -179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -93.3 -47.8 6.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.211 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.561 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -91.72 -37.95 12.69 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.591 -0.277 . . . . 0.0 111.138 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.822 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.14 -34.97 74.27 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.93 -25.29 66.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.779 -0.646 . . . . 0.0 109.601 178.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -83.92 -23.24 31.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.344 -0.843 . . . . 0.0 110.197 179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.822 HD12 ' HA ' ' A' ' 15' ' ' LEU . 59.5 mt -75.87 -46.85 34.38 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.043 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -87.72 -54.55 4.2 Favored 'General case' 0 C--O 1.249 1.045 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.35 1 O-C-N 80.337 -26.477 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.763 0.316 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.415 ' C ' ' H ' ' A' ' 4' ' ' SER . 66.8 p-90 -117.11 11.64 14.25 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.975 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.35 19.26 0.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.267 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 2' ' ' TRP . 31.3 p -111.27 23.53 13.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.781 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.1 pp -127.02 -6.67 6.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.072 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 18.7 p-90 -93.56 -35.54 12.85 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.606 -0.27 . . . . 0.0 111.345 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.406 ' ND2' ' H ' ' A' ' 7' ' ' ASN . 1.7 m-80 -53.49 -25.42 16.41 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.939 0.399 . . . . 0.0 111.012 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.503 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -108.33 -22.66 12.24 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.692 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 4.4 t80 -63.16 -29.81 71.09 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.2 179.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.404 ' HA ' HD22 ' A' ' 13' ' ' ASN . 0.8 OUTLIER -83.83 -17.1 42.09 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.558 179.67 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.531 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.3 mt -73.3 -32.9 39.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.951 179.809 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.494 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.3 OUTLIER -70.07 4.03 2.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.023 179.691 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.404 HD22 ' HA ' ' A' ' 10' ' ' ASN . 37.0 m-80 -93.87 -45.6 7.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.531 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -94.61 -40.39 9.86 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.774 179.822 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.08 -37.52 77.28 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 179.498 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.494 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.33 -30.05 71.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.249 0.547 . . . . 0.0 109.699 178.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.65 -30.13 51.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.195 179.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.809 HD12 ' HA ' ' A' ' 15' ' ' LEU . 49.0 mt -70.72 -47.92 60.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.811 -0.632 . . . . 0.0 111.066 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 24.5 mttt -75.47 -41.77 54.79 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.853 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.328 1 O-C-N 99.774 -14.329 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.829 0.347 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.499 ' HE3' HD21 ' A' ' 5' ' ' LEU . 68.0 p-90 -110.02 5.98 22.66 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.945 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.59 25.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.584 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.43 ' H ' ' C ' ' A' ' 2' ' ' TRP . 14.3 m -107.11 25.05 11.86 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.717 179.705 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.51 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.2 pp -127.07 0.91 6.52 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.382 -179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.424 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 5.8 p-90 -96.04 -32.51 12.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.603 0.239 . . . . 0.0 111.249 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.2 m-80 -54.22 -27.43 34.46 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.157 -179.602 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.524 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -104.77 -26.37 12.29 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.692 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.51 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -61.58 -29.33 69.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.577 179.695 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.413 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -84.0 -16.74 42.89 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.325 179.72 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.539 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 24.2 mt -73.19 -30.67 31.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.852 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.445 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -68.58 2.11 2.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.955 179.617 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.413 ' ND2' ' HA ' ' A' ' 10' ' ' ASN . 77.6 m-20 -93.84 -49.22 5.92 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.189 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.539 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.5 OUTLIER -89.63 -37.11 14.88 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.619 -0.264 . . . . 0.0 110.999 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.835 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.62 -36.58 81.15 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.445 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -63.35 -25.67 68.4 Favored 'General case' 0 C--N 1.332 -0.168 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 178.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.01 -29.73 31.87 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.094 179.497 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.835 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt -76.51 -70.6 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.049 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 5.4 mtpm? -70.7 -15.2 62.69 Favored 'General case' 0 C--O 1.249 1.04 0 CA-C-O 118.118 -0.944 . . . . 0.0 110.865 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 1 O-C-N 110.857 -7.402 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.793 0.33 . . . . 0.0 111.231 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.565 ' HE3' HD21 ' A' ' 5' ' ' LEU . 50.4 p-90 -101.37 6.04 42.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.029 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.79 24.97 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.284 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 2' ' ' TRP . 15.1 m -122.97 23.02 9.46 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.068 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.565 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.9 pp -122.48 5.07 9.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.242 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.3 p-90 -100.23 -32.83 10.69 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.561 -0.291 . . . . 0.0 110.932 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -55.59 -21.43 17.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.882 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.509 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -108.71 -27.18 9.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.756 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -64.51 -25.08 67.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.647 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -88.93 -9.26 52.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.141 179.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.629 HG22 ' HB3' ' A' ' 15' ' ' LEU . 25.0 mt -79.8 -29.46 12.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.842 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -65.52 -2.97 3.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.006 179.724 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-80 -87.67 -47.61 8.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.088 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.585 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.7 p-90 -94.26 -42.03 9.15 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.149 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.844 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -55.07 -35.71 64.83 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 109.719 -0.474 . . . . 0.0 109.719 179.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.6 -36.72 85.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.758 -0.656 . . . . 0.0 109.567 179.001 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -67.95 -30.96 70.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.358 -0.837 . . . . 0.0 109.943 179.103 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.844 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.8 mt -76.47 -33.94 23.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.954 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.2 mmtp -66.74 -74.55 0.11 Allowed 'General case' 0 C--O 1.249 1.078 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.947 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 119.288 0.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.436 ' HD3' ' H ' ' A' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.752 0.31 . . . . 0.0 111.195 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.45 ' HE3' HD21 ' A' ' 5' ' ' LEU . 49.8 p-90 -113.42 -1.99 14.05 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.899 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.436 ' H ' ' HD3' ' A' ' 1' ' ' LYS . . . -78.2 23.27 0.29 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.283 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 17.7 p -116.99 26.64 9.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.066 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.45 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.9 pp -120.81 -8.14 9.46 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.887 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.429 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 0.9 OUTLIER -98.46 -34.36 10.66 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.129 -179.857 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -54.76 -19.46 6.38 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.27 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -112.58 -25.41 9.15 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.653 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.442 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.2 OUTLIER -65.13 -24.41 67.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.326 179.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -89.75 -7.99 53.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.16 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.724 HG22 ' HB3' ' A' ' 15' ' ' LEU . 19.2 mt -84.96 -29.21 6.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.974 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -64.68 -0.85 1.57 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.271 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -91.2 -44.37 9.27 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.178 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.612 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.47 -39.76 9.0 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.526 -0.307 . . . . 0.0 110.99 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.824 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.03 -36.28 72.51 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 179.325 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.28 -29.55 70.85 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.629 178.936 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -77.69 -33.02 53.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.297 -0.865 . . . . 0.0 110.16 179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.824 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.7 mt -69.47 -52.42 32.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.213 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.2 mttt -64.64 -12.63 47.87 Favored 'General case' 0 C--O 1.249 1.069 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.972 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.318 1 O-C-N 66.122 -35.361 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.841 0.353 . . . . 0.0 111.177 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.451 ' C ' ' H ' ' A' ' 4' ' ' SER . 67.2 p-90 -91.46 2.46 56.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.995 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.79 22.13 0.08 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.611 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.451 ' H ' ' C ' ' A' ' 2' ' ' TRP . 1.4 m -109.48 32.42 5.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.812 0.339 . . . . 0.0 110.879 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.562 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -133.24 3.16 3.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.276 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 9.2 p-90 -106.15 -29.52 9.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.719 0.295 . . . . 0.0 111.16 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.84 -22.5 14.72 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.239 -179.601 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.534 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -113.35 -25.68 8.71 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.667 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.562 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 2.0 t80 -62.02 -22.53 65.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.698 179.755 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -19.58 21.58 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.679 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.551 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 21.2 mt -70.49 -33.57 54.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.068 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -66.27 -1.05 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.171 179.803 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 6.2 m-80 -91.51 -45.84 8.3 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.164 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.551 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.37 -40.38 9.97 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.572 -0.285 . . . . 0.0 111.1 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.733 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.65 -37.62 76.36 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.797 -0.445 . . . . 0.0 109.797 179.484 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.03 -28.7 69.97 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.973 -0.558 . . . . 0.0 109.616 178.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -79.65 -27.31 40.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.127 179.495 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.733 HD12 ' HA ' ' A' ' 15' ' ' LEU . 56.8 mt -75.98 -36.53 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.173 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.3 mttm -94.0 -45.16 7.72 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.072 -0.966 . . . . 0.0 111.055 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.378 1 O-C-N 84.455 -23.903 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.793 0.33 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.416 ' C ' ' H ' ' A' ' 4' ' ' SER . 67.7 p-90 -83.98 12.02 6.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.917 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.84 27.94 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.585 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -102.87 30.72 4.58 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.816 0.341 . . . . 0.0 110.856 179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.631 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.5 pp -132.85 -12.45 2.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.905 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 3.8 p-90 -94.04 -27.12 16.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.096 -179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.17 -24.03 9.77 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.904 0.383 . . . . 0.0 111.029 -179.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.522 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -115.43 -23.93 8.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.485 179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.631 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 2.4 t80 -64.84 -21.97 66.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.41 179.498 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.16 -17.79 33.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.231 179.577 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.586 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 18.2 mt -74.35 -31.36 28.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.457 -0.792 . . . . 0.0 111.177 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.472 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -67.49 1.83 2.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.26 179.879 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.4 m-80 -94.28 -45.74 7.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.986 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.586 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.6 OUTLIER -94.41 -40.84 9.71 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.823 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.3 -36.08 72.8 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.852 -0.425 . . . . 0.0 109.852 179.396 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.472 ' CZ3' HG22 ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -30.12 71.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.237 0.542 . . . . 0.0 109.646 179.038 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -78.65 -29.03 45.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.078 179.393 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 15' ' ' LEU . 42.7 mt -73.4 -63.75 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.802 -0.635 . . . . 0.0 111.026 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.6 mttp -61.23 -28.72 69.36 Favored 'General case' 0 C--O 1.248 1.022 0 CA-C-O 118.086 -0.959 . . . . 0.0 110.778 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.338 1 O-C-N 102.469 -12.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.483 ' HD3' ' H ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.828 0.347 . . . . 0.0 111.181 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.483 ' H ' ' HD3' ' A' ' 1' ' ' LYS . 64.5 p-90 -86.76 6.92 29.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.83 5.62 1.46 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.562 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.519 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 32.2 t -85.11 21.61 1.62 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.829 0.347 . . . . 0.0 111.167 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.1 pp -122.5 -4.61 8.78 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.571 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.412 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 0.4 OUTLIER -111.79 -32.01 6.77 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.942 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.519 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -56.65 -18.55 12.55 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.724 0.297 . . . . 0.0 111.184 -179.734 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -113.15 -24.96 9.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.667 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.412 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.3 OUTLIER -64.98 -22.03 66.94 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.461 179.735 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.4 p-10 -94.41 -5.3 46.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.45 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.666 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.8 mt -86.47 -30.67 6.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.298 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.523 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -64.71 -3.02 2.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.302 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 70.2 m-80 -88.21 -42.08 12.53 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.239 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.623 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -99.44 -41.42 7.4 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.984 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.34 -35.72 67.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.931 0.396 . . . . 0.0 109.937 179.508 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.523 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.95 -32.83 74.5 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.555 178.892 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -75.5 -33.26 60.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.228 -0.897 . . . . 0.0 110.292 179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.723 HD12 ' HA ' ' A' ' 15' ' ' LEU . 55.0 mt -67.03 -44.7 88.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.852 -0.613 . . . . 0.0 111.259 -179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -77.73 -49.48 14.34 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.931 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.376 1 O-C-N 109.164 -8.46 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.763 0.316 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -133.41 12.25 4.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.926 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.18 18.22 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.566 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.409 ' C ' HD21 ' A' ' 7' ' ' ASN . 6.2 m -125.52 43.07 3.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.151 -179.854 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.3 pp -135.46 -26.27 1.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.016 179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.6 p-90 -74.21 -28.93 61.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.039 -179.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.409 HD21 ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -59.19 -21.75 59.94 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.215 -179.76 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.506 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -115.24 -29.75 6.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.7 179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.481 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 4.6 t80 -64.0 -21.6 66.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.395 179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.419 ' HA ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -91.67 -14.49 29.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.213 179.483 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.558 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 29.1 mt -74.49 -31.09 26.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.663 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.499 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -68.17 0.7 3.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.044 179.599 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.419 HD22 ' HA ' ' A' ' 10' ' ' ASN . 50.1 m-80 -90.71 -44.39 9.51 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.074 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.558 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.91 -39.11 9.55 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.938 179.915 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.904 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.21 -35.71 74.11 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 109.849 -0.426 . . . . 0.0 109.849 179.439 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.499 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.69 -29.48 70.47 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 178.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.3 -25.35 51.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.8 179.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.904 HD12 ' HA ' ' A' ' 15' ' ' LEU . 48.8 mt -76.21 -69.49 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.073 179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 mttp -68.62 -21.19 64.5 Favored 'General case' 0 C--O 1.249 1.051 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.912 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 1 O-C-N 102.434 -12.666 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.78 0.324 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 64.0 p-90 -100.03 0.87 41.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.877 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -76.55 21.21 0.2 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.697 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.429 ' C ' HD21 ' A' ' 7' ' ' ASN . 4.5 m -100.04 31.91 3.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.778 0.323 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.519 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -126.39 -31.46 2.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.043 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -71.2 -25.38 62.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.356 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.429 HD21 ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -55.43 -27.26 46.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.921 0.391 . . . . 0.0 110.845 -179.73 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.535 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -116.67 -24.82 7.59 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.638 179.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.519 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -65.1 -22.06 66.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.41 179.725 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -92.88 -12.13 31.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.651 179.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.599 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.0 mt -78.41 -30.24 15.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.981 179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.46 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.83 -2.02 3.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.14 179.681 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.6 m-80 -90.94 -48.06 7.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.345 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.4 p-90 -93.67 -36.99 12.07 Favored 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.519 0.199 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.922 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.3 -35.01 74.58 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.744 -0.465 . . . . 0.0 109.744 179.43 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.46 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -66.31 -24.06 66.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.616 179.026 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -80.24 -30.46 38.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.491 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.922 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.4 mt -71.84 -58.44 5.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.093 179.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 28.4 mttm -80.69 6.29 13.23 Favored 'General case' 0 C--O 1.249 1.054 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 O-C-N 120.53 -1.356 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.852 0.358 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.645 ' HE3' HD21 ' A' ' 5' ' ' LEU . 52.0 p-90 -83.23 -1.07 52.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.836 179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.37 27.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.503 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 2' ' ' TRP . 19.6 m -112.16 30.81 6.74 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.898 179.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.645 HD21 ' HE3' ' A' ' 2' ' ' TRP . 2.2 pp -128.22 -0.37 5.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.118 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 4.1 p-90 -95.91 -36.08 11.22 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.511 -0.313 . . . . 0.0 110.855 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -56.34 -20.82 20.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.517 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -108.74 -23.54 11.72 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.556 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 2.9 t80 -64.18 -28.18 69.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.453 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -85.74 -10.69 55.18 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.313 179.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -80.81 -28.82 11.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.094 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.448 HG22 ' CZ3' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.67 0.61 3.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.15 179.704 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -92.85 -43.75 8.83 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.427 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.57 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -97.07 -35.75 10.71 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.607 0.241 . . . . 0.0 111.098 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.842 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -62.14 -33.42 74.46 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.65 -0.5 . . . . 0.0 109.65 179.375 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.448 ' CZ3' HG22 ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.48 -22.78 66.2 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 109.373 -0.603 . . . . 0.0 109.373 178.735 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -84.83 -30.04 24.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.025 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 15' ' ' LEU . 38.9 mt -72.11 -53.11 20.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.11 -39.0 15.95 Favored 'General case' 0 C--O 1.25 1.084 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.847 -179.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.388 1 O-C-N 75.952 -29.218 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.786 0.327 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.445 ' HE3' HD21 ' A' ' 5' ' ' LEU . 57.9 p-90 -91.27 16.35 10.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.68 21.63 0.64 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.453 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 73.5 m -127.44 44.83 2.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.109 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.533 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.3 pp -138.83 -19.47 1.02 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.182 179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 11.4 p-90 -83.93 -35.29 24.13 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.973 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.85 -21.5 20.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.402 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.529 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -112.83 -20.83 11.46 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.743 -179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.533 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 4.3 t80 -66.03 -23.37 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.319 179.506 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -90.08 -11.7 40.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.315 179.516 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.753 HG22 ' HB3' ' A' ' 15' ' ' LEU . 16.6 mt -82.43 -28.32 8.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.734 -0.666 . . . . 0.0 111.188 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.486 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -65.11 -1.31 2.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.178 179.844 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -91.38 -46.16 8.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.258 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.609 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.65 -41.1 9.07 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.98 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.753 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.82 -36.01 71.66 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.628 -0.508 . . . . 0.0 109.628 179.418 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.486 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.4 OUTLIER -62.94 -29.87 71.13 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.0 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -77.28 -34.64 55.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.265 179.437 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.725 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.9 mt -70.1 -38.58 75.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.098 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -82.65 -43.56 16.79 Favored 'General case' 0 C--O 1.249 1.071 0 CA-C-O 118.084 -0.96 . . . . 0.0 110.927 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 1 O-C-N 75.664 -29.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.786 0.327 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 63.8 p-90 -108.33 17.08 22.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.92 19.15 0.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.785 -179.681 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.7 m -107.82 30.74 6.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 0.0 111.001 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -135.97 -10.94 2.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.946 179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.503 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 9.4 p-90 -96.54 -29.49 13.85 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.163 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.29 -21.54 15.05 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.733 -179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.538 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.3 p-90 -111.38 -24.28 10.29 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.879 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.503 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -63.88 -24.41 67.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.354 179.688 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -86.09 -10.76 54.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.263 179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.598 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.7 mt -81.71 -29.21 10.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.696 -0.683 . . . . 0.0 110.902 179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.471 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -67.35 1.82 2.01 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.354 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.4 m-80 -94.26 -46.21 7.17 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.919 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.598 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.5 -39.8 10.67 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.94 179.777 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.848 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.94 -37.11 75.97 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 179.449 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.471 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.84 -27.4 69.14 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.898 -0.592 . . . . 0.0 109.769 179.02 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -28.07 42.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.178 179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.848 HD12 ' HA ' ' A' ' 15' ' ' LEU . 33.1 mt -73.93 -42.94 53.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.108 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.9 mttt -85.17 -21.62 29.12 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 118.119 -0.943 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.326 0 O-C-N 118.725 -2.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.364 0 CA-C-O 120.802 0.334 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.628 ' HE3' HD21 ' A' ' 5' ' ' LEU . 54.2 p-90 -93.79 16.58 13.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.825 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.06 28.28 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.279 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.41 18.39 14.37 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.92 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.628 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.3 pp -119.43 -8.28 10.06 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.672 179.635 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 12.0 p-90 -86.08 -30.1 22.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.569 179.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.596 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.7 m-20 -52.32 -58.57 6.25 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.511 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.479 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -68.07 -31.52 71.22 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.129 179.342 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.464 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.4 OUTLIER -63.83 -22.31 66.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.01 179.268 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -93.96 -17.08 23.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.615 -0.721 . . . . 0.0 109.936 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.596 HG13 ' O ' ' A' ' 7' ' ' ASN . 31.3 mt -72.05 -30.49 36.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.443 -0.799 . . . . 0.0 110.428 179.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.557 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.2 -2.67 4.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.988 179.423 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -87.33 -49.46 7.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.141 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.505 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -91.77 -41.1 10.86 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.565 -0.289 . . . . 0.0 111.091 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.916 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.54 -35.39 68.05 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 179.57 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.557 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.64 -35.35 80.75 Favored 'General case' 0 C--N 1.332 -0.176 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 178.734 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -33.95 75.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.379 -0.828 . . . . 0.0 109.844 179.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.916 HD12 ' HA ' ' A' ' 15' ' ' LEU . 18.6 mt -73.43 -33.1 39.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.842 179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.2 -80.65 0.1 Allowed 'General case' 0 C--O 1.249 1.055 0 CA-C-O 118.082 -0.961 . . . . 0.0 110.902 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 119.256 0.934 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.752 0.31 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.416 ' HE3' HD21 ' A' ' 5' ' ' LEU . 42.6 p-90 -153.52 26.55 0.51 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.855 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.69 29.08 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.281 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.5 p -122.08 29.34 7.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.166 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.472 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -129.63 -33.81 1.82 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.996 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 27.9 p-90 -63.45 -27.81 69.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.279 -179.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.557 ' O ' HG13 ' A' ' 11' ' ' ILE . 9.8 m-80 -53.86 -56.01 21.49 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.041 0.448 . . . . 0.0 111.176 -179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.502 ' HA ' ' CD1' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -86.05 -21.78 27.55 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.482 -179.429 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.472 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 18.7 t80 -63.82 -28.09 69.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.753 0.311 . . . . 0.0 110.703 179.816 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.92 -8.57 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.612 179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.557 HG13 ' O ' ' A' ' 7' ' ' ASN . 32.8 mt -80.32 -30.59 12.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.664 179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.19 -5.46 4.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.14 179.725 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 30.6 m-80 -87.09 -50.39 6.66 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.484 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.533 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -89.98 -39.17 13.14 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.763 -0.199 . . . . 0.0 111.16 -179.71 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.796 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.47 -34.0 70.39 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 109.822 -0.436 . . . . 0.0 109.822 179.502 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.22 -33.76 76.54 Favored 'General case' 0 CA--C 1.52 -0.175 0 N-CA-C 109.156 -0.683 . . . . 0.0 109.156 178.616 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -72.24 -32.17 66.46 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.011 179.261 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.796 HD12 ' HA ' ' A' ' 15' ' ' LEU . 25.2 mt -75.6 -26.37 18.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.848 179.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.1 mmtt -76.95 -71.11 0.42 Allowed 'General case' 0 C--O 1.248 0.994 0 CA-C-O 118.099 -0.953 . . . . 0.0 110.96 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 1 O-C-N 89.616 -20.677 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.562 ' HE3' ' HB2' ' A' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.789 0.328 . . . . 0.0 111.166 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.51 ' H ' ' HD2' ' A' ' 1' ' ' LYS . 64.7 p-90 -92.47 16.01 12.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.562 ' HB2' ' HE3' ' A' ' 1' ' ' LYS . . . -77.27 21.18 0.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.254 179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.407 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.0 OUTLIER -108.38 22.35 16.06 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.914 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.45 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.4 pp -126.59 -10.74 6.22 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 179.732 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.5 p-90 -94.75 -26.95 16.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.729 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -54.77 -29.72 54.84 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.02 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.8 p-90 -103.72 -23.92 13.39 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.783 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.427 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.6 OUTLIER -65.71 -24.54 67.01 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.946 0.403 . . . . 0.0 110.21 179.482 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -89.96 -6.37 55.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 109.707 179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.746 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.1 mt -86.08 -26.85 6.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.87 179.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.51 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -64.48 -2.43 2.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.312 179.834 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 69.6 m-80 -88.58 -42.94 11.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.291 -179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.598 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -99.7 -39.55 8.2 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.054 -179.899 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.746 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -57.75 -33.96 69.02 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 179.28 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.51 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.99 -30.63 71.63 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.765 -0.652 . . . . 0.0 109.53 178.748 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.94 -25.0 48.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.254 -0.884 . . . . 0.0 110.24 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.72 HD12 ' HA ' ' A' ' 15' ' ' LEU . 52.1 mt -79.02 -48.45 21.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -64.83 -46.68 80.92 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 118.029 -0.986 . . . . 0.0 111.07 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 1 O-C-N 110.946 -7.347 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.793 0.33 . . . . 0.0 111.247 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 62.9 p-90 -83.64 2.11 39.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.909 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.48 23.03 0.22 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.478 -179.856 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 2.5 p -102.77 33.02 3.37 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -132.15 -19.68 2.5 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.302 179.964 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 9.5 p-90 -89.63 -27.7 20.0 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.174 -179.808 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -53.93 -33.85 57.92 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.48 -179.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 -102.67 -21.02 14.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.04 -179.68 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.6 OUTLIER -64.08 -22.52 66.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.924 0.392 . . . . 0.0 110.292 179.477 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -92.71 -16.14 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.888 -0.596 . . . . 0.0 109.86 179.267 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.738 HG22 ' HB3' ' A' ' 15' ' ' LEU . 25.5 mt -77.07 -26.62 15.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.914 179.722 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.502 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -62.84 -6.15 3.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.238 179.794 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -86.15 -48.09 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.511 -179.709 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.585 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -93.62 -41.86 9.5 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.262 -179.733 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.769 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -54.74 -34.0 61.9 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.79 -0.448 . . . . 0.0 109.79 179.427 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.502 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.47 -37.55 87.17 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.576 178.903 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.48 -29.6 68.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.375 -0.83 . . . . 0.0 110.034 179.25 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.769 HD12 ' HA ' ' A' ' 15' ' ' LEU . 31.1 mt -75.88 -28.12 18.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.919 179.736 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.508 ' HD3' HD12 ' A' ' 15' ' ' LEU . 2.3 mptm? -80.31 -26.76 38.65 Favored 'General case' 0 C--O 1.249 1.058 0 CA-C-O 118.009 -0.996 . . . . 0.0 110.793 179.983 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.333 1 O-C-N 70.439 -32.663 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.8 tttt . . . . . 0 N--CA 1.485 1.323 0 CA-C-O 120.755 0.312 . . . . 0.0 111.199 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -87.72 15.75 6.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.913 179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.43 24.78 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.688 -179.767 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.417 ' C ' HD21 ' A' ' 7' ' ' ASN . 1.2 p -102.76 22.12 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 110.853 179.767 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.8 pp -124.21 -30.0 3.5 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.066 179.912 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.421 ' O ' ' HB3' ' A' ' 10' ' ' ASN . 2.5 p-90 -68.78 -24.48 64.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.496 -179.611 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.417 HD21 ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -55.47 -25.66 37.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.36 . . . . 0.0 111.258 -179.582 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.538 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.2 p-90 -123.49 -26.48 4.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.769 -179.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.494 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 7.6 t80 -65.36 -22.71 66.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.167 179.576 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.421 ' HB3' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -88.12 -16.82 32.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.355 179.659 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.634 HG22 ' HB3' ' A' ' 15' ' ' LEU . 17.2 mt -75.43 -32.45 25.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.042 179.817 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.508 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -64.8 -2.05 2.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.39 179.96 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -91.33 -45.59 8.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.173 -179.905 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.7 OUTLIER -95.12 -41.36 9.14 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.943 179.982 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.786 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.18 -37.9 72.83 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.952 -0.388 . . . . 0.0 109.952 179.481 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.508 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.83 -32.1 73.24 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.269 0.557 . . . . 0.0 109.747 179.071 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -74.92 -30.51 61.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.184 179.417 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.7 mt -72.27 -60.91 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.112 179.826 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 mttt -68.26 -70.41 0.26 Allowed 'General case' 0 C--O 1.249 1.052 0 CA-C-O 118.08 -0.962 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.341 0 O-C-N 118.291 -2.756 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.378 0 CA-C-O 120.761 0.315 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.409 ' HE3' HD21 ' A' ' 5' ' ' LEU . 62.0 p-90 -108.09 17.57 22.17 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.016 -179.955 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.68 22.47 0.36 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.406 -179.967 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -107.92 27.59 9.08 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.899 179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.409 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.8 pp -130.82 -10.82 3.88 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 179.84 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.467 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 9.6 p-90 -95.41 -25.88 16.08 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.825 179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -55.1 -26.25 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.597 -179.593 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.49 ' HA ' HG13 ' A' ' 11' ' ' ILE . 3.6 p-90 -104.77 -23.82 12.99 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.395 -179.418 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.467 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -65.29 -24.08 67.2 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.941 0.401 . . . . 0.0 110.245 179.574 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -90.3 -10.24 44.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.399 179.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.0 mt -83.44 -28.08 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.871 179.882 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.487 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -65.78 -0.83 2.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.282 179.811 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 47.9 m-20 -92.86 -46.32 7.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.256 -179.784 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -94.82 -38.84 10.56 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.172 -179.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.812 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.32 -34.95 74.54 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.409 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.487 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.25 -23.87 66.49 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.62 178.935 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -82.67 -25.91 32.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.103 179.53 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.812 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt -78.91 -59.07 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.048 179.783 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.54 -56.48 20.86 Favored 'General case' 0 C--O 1.25 1.088 0 CA-C-O 118.01 -0.995 . . . . 0.0 110.913 -179.995 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 1 O-C-N 112.969 -6.082 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.701 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.707 0.289 . . . . 0.0 111.13 . . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.462 ' HE3' HD21 ' A' ' 5' ' ' LEU . 50.9 p-90 -74.76 13.84 0.58 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.316 -179.858 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.701 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . . . -78.4 29.14 0.19 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.248 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.411 ' HA ' ' ND2' ' A' ' 7' ' ' ASN . 59.6 m -141.32 53.62 1.54 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.046 179.984 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.462 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.7 pp -144.91 -16.47 0.52 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.142 179.845 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.439 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 11.1 p-90 -95.41 -32.28 12.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.834 -179.9 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.411 ' ND2' ' HA ' ' A' ' 4' ' ' SER . 3.3 m-80 -55.46 -23.09 23.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.406 -179.532 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.536 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -104.28 -23.34 13.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.887 179.965 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.439 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.5 OUTLIER -61.45 -25.39 67.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.533 179.777 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -93.14 -9.63 38.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.987 -0.552 . . . . 0.0 110.626 179.729 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 15' ' ' LEU . 23.3 mt -82.08 -29.21 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.974 179.819 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.25 -5.31 4.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.26 179.745 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -86.46 -45.31 11.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.447 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.579 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.1 p-90 -97.7 -39.68 8.95 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.202 -179.768 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.876 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.15 -32.74 64.55 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 179.414 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.438 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.3 OUTLIER -64.7 -36.66 85.0 Favored 'General case' 0 C--N 1.332 -0.177 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 178.627 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.401 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -66.9 -26.4 66.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.267 -0.878 . . . . 0.0 109.905 179.051 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.876 HD12 ' HA ' ' A' ' 15' ' ' LEU . 6.4 mt -89.79 -26.02 5.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.163 179.943 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.62 20.06 16.86 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 118.039 -0.982 . . . . 0.0 110.978 -179.88 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.339 0 O-C-N 120.337 -1.477 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.341 0 CA-C-O 120.813 0.34 . . . . 0.0 111.31 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.597 ' HE3' HD21 ' A' ' 5' ' ' LEU . 38.3 p-90 -83.71 3.73 31.84 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.723 179.805 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.0 9.07 5.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.053 179.809 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.408 ' C ' HD21 ' A' ' 7' ' ' ASN . 2.8 m -105.82 27.47 8.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 2' ' ' TRP . 4.1 pp -124.04 -14.58 7.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.14 179.758 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.4 p-90 -91.59 -29.71 16.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.196 -179.802 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.408 HD21 ' C ' ' A' ' 4' ' ' SER . 0.0 OUTLIER -52.45 -24.41 7.87 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.116 -179.881 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.512 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -110.91 -26.18 9.44 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.556 179.702 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.448 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.8 OUTLIER -63.41 -24.53 67.88 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.03 0.443 . . . . 0.0 110.133 179.605 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -85.42 -14.65 45.57 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.004 179.249 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.512 HG13 ' HA ' ' A' ' 8' ' ' TRP . 32.6 mt -75.27 -31.31 24.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.774 179.721 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.534 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.5 OUTLIER -70.89 1.91 4.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.782 179.397 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.16 -44.96 9.42 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.975 -179.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.508 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 1.1 p-90 -96.48 -38.82 9.86 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.899 179.894 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.867 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.14 -34.73 72.41 Favored 'General case' 0 C--N 1.332 -0.185 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 179.34 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.534 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.96 -36.28 83.89 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.692 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -68.42 -31.72 71.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.442 178.875 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.867 HD12 ' HA ' ' A' ' 15' ' ' LEU . 37.2 mt -73.37 -31.91 35.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.852 179.621 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.11 -47.98 32.69 Favored 'General case' 0 C--O 1.249 1.077 0 CA-C-O 118.11 -0.948 . . . . 0.0 110.826 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 1 O-C-N 93.886 -18.009 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.803 0.335 . . . . 0.0 111.169 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 62.6 p-90 -80.79 -8.37 59.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.71 8.76 0.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.597 -179.737 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 1.8 m -98.3 34.39 1.99 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.986 179.886 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.582 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.5 pp -125.5 -21.66 4.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.046 179.793 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.5 p-90 -79.6 -27.23 41.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.347 -179.603 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -53.04 -26.72 16.69 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.853 0.358 . . . . 0.0 111.155 -179.644 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -114.74 -27.64 7.38 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.775 -179.949 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.582 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.3 OUTLIER -61.6 -24.9 66.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.009 0.433 . . . . 0.0 110.435 179.745 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.461 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -88.59 -19.05 26.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.592 179.956 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 HG22 HD23 ' A' ' 15' ' ' LEU . 28.4 mt -70.13 -35.93 65.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.826 -0.625 . . . . 0.0 111.027 179.846 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.537 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -67.18 0.63 2.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.335 179.788 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 2.7 m-80 -92.52 -50.68 5.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.176 -179.836 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.519 ' CE2' ' HA ' ' A' ' 11' ' ' ILE . 1.9 p-90 -88.31 -39.42 14.39 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.053 -179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.971 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -59.93 -37.17 78.71 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 179.567 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.537 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.23 -29.41 69.66 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.672 179.075 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.06 -30.71 55.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.146 179.492 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.971 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.3 mt -67.36 -41.06 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.979 179.907 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.518 ' HD2' HD12 ' A' ' 15' ' ' LEU . 3.7 mttm -67.34 -57.48 6.55 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.932 179.96 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 O-C-N 116.739 -3.725 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.485 1.306 0 CA-C-O 120.766 0.317 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 59.4 p-90 -91.86 -0.68 57.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.982 -179.982 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.59 23.97 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.449 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.51 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 20.3 p -100.74 30.98 3.71 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.861 179.869 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 pp -127.91 -15.73 4.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.46 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 3.1 p-90 -95.63 -29.17 14.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.073 -179.865 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.51 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -54.63 -21.45 10.6 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.312 -179.738 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.454 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -109.48 -26.38 9.99 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.952 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.46 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -63.59 -26.12 68.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.052 0.453 . . . . 0.0 109.953 179.513 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.2 p-10 -89.97 15.92 9.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.978 179.093 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.726 HG22 ' HB3' ' A' ' 15' ' ' LEU . 14.8 mt -110.53 -28.15 2.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.875 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.521 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -61.45 -5.68 1.88 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.497 -179.919 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.62 -49.68 7.0 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.25 -179.825 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.617 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 2.5 p-90 -89.74 -41.59 11.8 Favored 'General case' 0 C--N 1.333 -0.146 0 C-N-CA 120.991 -0.284 . . . . 0.0 111.244 -179.897 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.932 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.19 -35.4 67.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.824 0.345 . . . . 0.0 110.096 179.664 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.521 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -67.09 -32.13 73.09 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.153 0.501 . . . . 0.0 109.718 179.012 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -71.09 -30.13 66.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.472 -0.786 . . . . 0.0 109.995 179.223 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.932 HD12 ' HA ' ' A' ' 15' ' ' LEU . 47.3 mt -68.76 -42.97 83.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.107 179.948 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.1 mtmt -83.0 -65.5 1.0 Allowed 'General case' 0 C--O 1.249 1.043 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.872 -179.968 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.347 1 O-C-N 111.275 -7.14 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.354 0 CA-C-O 120.765 0.317 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.41 ' C ' ' H ' ' A' ' 4' ' ' SER . 66.9 p-90 -109.96 5.48 22.38 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.004 179.943 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.05 12.89 0.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.504 -179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 2' ' ' TRP . 69.1 m -106.14 21.54 17.19 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.041 -179.935 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.556 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.3 pp -122.42 -3.96 8.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.853 179.592 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.6 p-90 -89.1 -30.87 18.32 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.707 179.877 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -54.7 -24.29 21.4 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.643 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.499 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -109.89 -27.68 9.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.596 179.712 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.556 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 0.7 OUTLIER -64.01 -25.34 68.08 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.933 0.397 . . . . 0.0 110.137 179.57 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.433 ' HA ' HD22 ' A' ' 13' ' ' ASN . 0.0 OUTLIER -83.74 -17.35 41.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.845 179.154 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.563 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 28.7 mt -74.45 -32.48 30.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.718 179.697 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.507 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -68.64 3.72 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 179.66 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.433 HD22 ' HA ' ' A' ' 10' ' ' ASN . 36.9 m-80 -94.26 -45.57 7.45 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.791 179.809 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.563 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.33 -41.18 9.15 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.759 179.68 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.915 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.01 -37.56 74.51 Favored 'General case' 0 C--N 1.33 -0.259 0 N-CA-C 109.763 -0.458 . . . . 0.0 109.763 179.372 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.507 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -64.71 -29.64 70.63 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.993 -0.548 . . . . 0.0 109.618 179.032 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -30.12 58.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.055 179.328 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.915 HD12 ' HA ' ' A' ' 15' ' ' LEU . 35.3 mt -71.41 -52.84 23.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.945 179.661 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 mttm -67.56 -35.41 78.98 Favored 'General case' 0 C--O 1.249 1.062 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.813 179.837 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.319 0 O-C-N 120.204 -1.56 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 3.8 tttt . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.801 0.334 . . . . 0.0 111.257 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.632 ' HE3' HD21 ' A' ' 5' ' ' LEU . 29.0 p-90 -91.74 -2.91 56.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.857 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.59 25.32 0.26 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.315 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.595 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 1.0 OUTLIER -133.14 15.92 4.16 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.731 0.301 . . . . 0.0 111.58 179.912 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.632 HD21 ' HE3' ' A' ' 2' ' ' TRP . 4.3 pp -99.28 -20.01 16.78 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.113 0.482 . . . . 0.0 109.779 178.8 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.466 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 11.0 p-90 -88.08 -23.65 23.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.76 178.957 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.595 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 15.8 m120 -53.29 -27.9 25.27 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.458 -179.682 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.531 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -105.63 -25.63 12.18 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.017 -179.609 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.466 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.2 OUTLIER -62.41 -26.57 68.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.904 0.383 . . . . 0.0 110.4 179.829 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -88.01 -9.96 51.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.351 179.46 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.778 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.1 mt -84.07 -28.75 7.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.023 179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.475 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.32 -1.85 1.89 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.473 -179.969 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -91.59 -45.07 8.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.165 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.616 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.96 -41.39 8.8 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.938 179.938 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.878 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.37 -35.89 68.21 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 109.874 179.377 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.475 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -65.16 -33.74 76.74 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.668 179.029 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 -30.11 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.4 -0.818 . . . . 0.0 109.834 179.111 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.878 HD12 ' HA ' ' A' ' 15' ' ' LEU . 23.1 mt -75.7 -38.23 37.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.942 179.713 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -81.32 -15.28 55.87 Favored 'General case' 0 C--O 1.249 1.05 0 CA-C-O 118.106 -0.95 . . . . 0.0 110.811 179.845 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.32 0 O-C-N 119.025 -2.297 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.385 0 CA-C-O 120.749 0.309 . . . . 0.0 111.073 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.438 ' C ' ' H ' ' A' ' 4' ' ' SER . 69.0 p-90 -79.88 11.66 3.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.277 -179.857 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.39 27.72 0.1 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.76 0.314 . . . . 0.0 111.533 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 2' ' ' TRP . 50.6 m -117.6 26.75 9.5 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.76 179.836 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.8 pp -129.17 4.64 5.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.2 -179.901 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -109.95 -32.55 7.0 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.449 -0.342 . . . . 0.0 111.131 -179.881 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -54.84 -21.68 12.11 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.864 0.364 . . . . 0.0 111.049 -179.744 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.428 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.1 p-90 -107.59 -28.7 9.6 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.519 179.82 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -60.36 -27.03 67.07 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.615 179.923 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.52 -16.92 33.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.443 179.565 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.593 HG22 HD23 ' A' ' 15' ' ' LEU . 35.9 mt -73.57 -34.4 41.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.885 179.795 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.542 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -69.43 5.08 1.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.069 179.642 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -96.32 -50.9 4.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.724 179.903 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.588 ' CZ2' HG23 ' A' ' 11' ' ' ILE . 4.8 p-90 -87.57 -41.36 13.5 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.564 -0.289 . . . . 0.0 110.752 179.657 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.98 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.84 -40.66 84.87 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 179.382 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.542 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -66.1 -29.0 69.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.077 179.351 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -77.05 -22.26 53.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.897 179.364 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.98 HD12 ' HA ' ' A' ' 15' ' ' LEU . 28.6 mt -77.27 -46.08 28.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.016 179.741 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.52 -28.34 25.0 Favored 'General case' 0 C--O 1.249 1.072 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.902 -179.864 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.375 1 O-C-N 112.992 -6.067 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.8 tptt . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.779 0.323 . . . . 0.0 111.197 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.597 ' HE3' HD21 ' A' ' 5' ' ' LEU . 60.8 p-90 -89.4 19.46 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.952 -179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.83 30.76 0.2 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.234 179.891 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 75.5 p -121.31 38.31 4.11 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.597 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.3 pp -140.93 -3.25 1.26 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.047 179.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -106.21 -33.44 7.82 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.025 179.969 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -57.07 -19.18 17.64 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.149 -179.826 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.482 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -109.97 -30.49 7.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.995 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -22.22 65.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.672 -179.707 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.29 -12.84 36.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.209 179.429 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.614 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.8 mt -79.25 -30.6 14.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.578 -0.737 . . . . 0.0 111.173 179.903 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -67.11 2.16 1.67 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.302 179.92 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -94.45 -45.36 7.47 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.169 -179.965 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.614 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -94.65 -38.08 11.01 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.975 -179.907 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.832 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -61.46 -38.68 88.09 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.403 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.495 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.35 -25.82 68.47 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.938 -0.574 . . . . 0.0 109.667 179.19 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -81.37 -32.67 32.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.207 -0.906 . . . . 0.0 110.28 179.636 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.832 HD12 ' HA ' ' A' ' 15' ' ' LEU . 53.3 mt -65.37 -60.77 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.6 mmtt -62.97 -30.88 71.92 Favored 'General case' 0 C--O 1.249 1.044 0 CA-C-O 118.047 -0.978 . . . . 0.0 110.88 -179.933 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.367 0 O-C-N 117.611 -3.181 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.512 ' HE3' ' HD1' ' A' ' 2' ' ' TRP . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.797 0.332 . . . . 0.0 111.175 . . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.512 ' HD1' ' HE3' ' A' ' 1' ' ' LYS . 28.8 p-90 -80.53 -2.99 48.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.763 179.876 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 24.8 0.27 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.264 179.955 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.5 p -98.72 26.97 5.18 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.993 -179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 1.6 pp -128.92 -10.18 4.87 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.233 -179.984 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.406 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 2.9 p-90 -87.83 -30.28 20.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.773 0.321 . . . . 0.0 110.851 -179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -53.34 -32.72 50.43 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.353 -179.651 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.5 ' HA ' HG13 ' A' ' 11' ' ' ILE . 2.1 p-90 -104.22 -20.78 13.68 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.783 -179.74 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.544 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.3 t80 -65.31 -26.33 68.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.113 179.447 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 2.1 p-10 -88.36 -9.28 53.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.004 -0.544 . . . . 0.0 109.926 179.242 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.767 HG22 ' HB3' ' A' ' 15' ' ' LEU . 24.0 mt -84.67 -27.3 6.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.899 179.809 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.0 OUTLIER -64.78 -1.03 1.69 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.347 179.839 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -91.55 -45.29 8.58 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.919 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.595 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -96.8 -39.36 9.47 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.913 179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.962 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.57 -33.67 68.4 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.429 -0.582 . . . . 0.0 109.429 179.355 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -64.77 -33.27 75.59 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.844 -0.617 . . . . 0.0 109.453 178.759 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -69.29 -30.12 68.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.967 179.108 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.962 HD12 ' HA ' ' A' ' 15' ' ' LEU . 13.0 mt -78.17 -62.87 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.923 179.751 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.7 mptp? -63.55 -79.94 0.03 OUTLIER 'General case' 0 C--O 1.249 1.057 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 O-C-N 120.444 -1.41 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 ttpp . . . . . 0 N--CA 1.486 1.36 0 CA-C-O 120.805 0.336 . . . . 0.0 111.214 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.418 ' HE3' HD21 ' A' ' 5' ' ' LEU . 64.2 p-90 -89.24 18.5 5.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 179.958 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.89 31.1 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.284 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 3.9 m -127.61 36.78 4.32 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.974 179.943 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.418 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.8 pp -134.5 -12.06 2.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.048 179.918 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.5 p-90 -94.59 -30.62 14.26 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.116 -179.811 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.568 ' O ' HG13 ' A' ' 11' ' ' ILE . 4.0 p30 -53.35 -56.89 13.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.194 -179.611 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.425 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.3 p-90 -67.35 -29.38 68.91 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.904 -179.954 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.15 -24.47 67.91 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.988 0.423 . . . . 0.0 110.346 179.575 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -91.62 -16.6 26.82 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.523 179.741 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.766 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.3 mt -76.94 -29.5 17.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.157 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -65.91 -1.9 3.41 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.773 0.32 . . . . 0.0 111.225 179.813 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 56.9 m-80 -91.08 -42.79 10.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.181 -179.875 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.631 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.3 p-90 -99.38 -41.09 7.57 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.569 -0.287 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.883 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.57 -36.73 69.67 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 109.608 -0.515 . . . . 0.0 109.608 179.43 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.459 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -61.75 -35.33 77.81 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 115.89 -0.596 . . . . 0.0 109.463 178.816 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.438 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 1.0 OUTLIER -67.66 -37.85 82.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.259 -0.882 . . . . 0.0 109.921 179.057 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.883 HD12 ' HA ' ' A' ' 15' ' ' LEU . 11.9 mt -69.52 -32.81 54.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.791 -0.64 . . . . 0.0 110.782 179.6 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.47 -60.07 2.57 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-O 118.096 -0.954 . . . . 0.0 110.906 179.893 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.349 1 O-C-N 93.29 -18.381 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.797 0.332 . . . . 0.0 111.242 . . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.431 ' C ' ' H ' ' A' ' 4' ' ' SER . 67.6 p-90 -81.29 9.06 7.65 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.65 11.92 0.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.781 -179.718 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 2' ' ' TRP . 69.0 m -103.82 29.04 6.09 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.738 0.304 . . . . 0.0 111.101 179.865 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.488 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.0 pp -131.64 -25.96 2.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.901 179.714 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' HA ' ' HB3' ' A' ' 9' ' ' PHE . 7.9 p-90 -74.18 -26.71 60.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.25 -179.737 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -26.73 39.19 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.898 0.38 . . . . 0.0 110.916 -179.85 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.511 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -116.02 -26.62 7.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.619 179.688 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 17.9 t80 -65.62 -21.0 66.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.012 0.434 . . . . 0.0 110.139 179.549 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -91.85 -13.28 31.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.237 179.442 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.568 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 37.5 mt -75.74 -29.65 20.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.595 179.6 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 1.0 OUTLIER -69.49 -0.32 6.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.076 179.644 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -88.78 -40.73 12.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.117 -179.835 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.568 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -101.21 -37.87 8.35 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.821 179.933 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.631 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -60.91 -38.21 84.94 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.776 -0.453 . . . . 0.0 109.776 179.459 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.57 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -60.21 -28.31 67.88 Favored 'General case' 0 C--N 1.332 -0.159 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 178.738 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.98 -30.67 39.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.837 179.245 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.631 HD12 ' HA ' ' A' ' 15' ' ' LEU . 19.8 mt -82.87 -74.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.684 -0.689 . . . . 0.0 111.116 179.861 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 tttp -71.32 -0.5 10.22 Favored 'General case' 0 C--O 1.249 1.067 0 CA-C-O 118.051 -0.976 . . . . 0.0 110.977 -179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 1 O-C-N 61.354 -38.341 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.855 0.36 . . . . 0.0 111.193 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.664 ' HE3' HD21 ' A' ' 5' ' ' LEU . 47.1 p-90 -118.65 9.45 12.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.79 179.957 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.94 30.26 0.17 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.377 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.401 ' H ' ' C ' ' A' ' 2' ' ' TRP . 0.7 OUTLIER -118.72 26.13 9.77 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.047 179.925 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.664 HD21 ' HE3' ' A' ' 2' ' ' TRP . 3.9 pp -130.96 -5.08 3.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.998 179.923 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 2.8 p-90 -94.39 -31.84 13.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.261 -179.765 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -55.46 -24.92 33.58 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 120.849 0.357 . . . . 0.0 110.778 -179.814 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.529 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -105.95 -27.39 11.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.723 179.926 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.493 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 1.4 t80 -63.13 -25.6 68.43 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.646 179.828 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -87.42 -14.53 40.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.193 179.52 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.707 HG22 ' HB3' ' A' ' 15' ' ' LEU . 22.2 mt -75.52 -29.23 20.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.129 179.753 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.1 OUTLIER -65.05 -4.27 4.54 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.33 179.914 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.5 m-80 -87.32 -45.65 10.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.258 -179.828 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.589 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -96.68 -39.42 9.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.207 -179.718 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 ' HB3' HG22 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -56.23 -35.42 67.33 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.504 -0.554 . . . . 0.0 109.504 179.422 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.416 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.21 -35.01 77.59 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.614 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.415 ' HB3' ' O ' ' A' ' 14' ' ' TRP . 0.5 OUTLIER -70.41 -28.98 65.49 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.791 178.972 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.68 HD12 ' HA ' ' A' ' 15' ' ' LEU . 21.1 mt -80.05 -22.08 11.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.989 179.91 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.3 mttt -80.58 -56.79 3.92 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.113 -0.946 . . . . 0.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 1 O-C-N 75.566 -29.459 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.485 1.311 0 CA-C-O 120.787 0.327 . . . . 0.0 111.068 . . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 45.9 p-90 -73.14 -6.13 43.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.812 -179.959 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -75.46 13.43 0.76 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.472 -179.878 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 79.4 p -88.44 27.05 1.32 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.896 179.949 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.6 pp -130.52 -0.93 4.4 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.55 -179.902 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.452 ' HA ' ' HB2' ' A' ' 9' ' ' PHE . 6.3 p-90 -107.43 -32.25 7.81 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.644 0.259 . . . . 0.0 111.14 179.903 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -56.48 -19.57 15.99 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.95 -179.835 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.494 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.2 p-90 -106.31 -28.25 10.51 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.91 -179.915 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.452 ' HB2' ' HA ' ' A' ' 6' ' ' TRP . 0.1 OUTLIER -64.87 -24.3 67.49 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.914 0.388 . . . . 0.0 110.441 179.878 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -86.85 -11.77 49.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.055 179.386 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.6 ' HA ' ' NE1' ' A' ' 14' ' ' TRP . 20.9 mt -79.91 -30.38 13.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.91 179.831 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.503 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.8 OUTLIER -66.02 -1.6 3.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.178 179.677 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.0 m-80 -90.59 -45.36 8.96 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.222 -179.754 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.6 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.9 OUTLIER -95.69 -40.33 9.44 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.542 -0.299 . . . . 0.0 111.012 179.935 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.789 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.39 -36.02 72.89 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.867 -0.42 . . . . 0.0 109.867 179.435 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.503 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.86 -29.73 70.88 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.411 -0.589 . . . . 0.0 109.411 178.808 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -76.14 -27.79 57.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.042 179.388 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.789 HD12 ' HA ' ' A' ' 15' ' ' LEU . 17.9 mt -81.53 -68.82 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.952 179.802 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.29 -33.8 59.49 Favored 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.967 179.949 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 119.202 0.91 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.794 0.33 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 61.6 p-90 -84.79 9.91 12.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.989 -179.943 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -70.55 2.02 4.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.201 179.88 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.441 ' HA ' ' OD1' ' A' ' 7' ' ' ASN . 41.2 m -99.56 30.71 3.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.172 -179.902 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.508 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.7 pp -128.27 -28.77 2.55 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.893 179.691 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -77.31 -28.54 53.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.067 -179.774 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.441 ' OD1' ' HA ' ' A' ' 4' ' ' SER . 0.1 OUTLIER -56.54 -24.21 45.21 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.993 -179.861 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.514 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.9 OUTLIER -114.52 -27.01 7.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.583 179.809 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.508 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 13.5 t80 -64.91 -19.81 66.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.343 179.588 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -93.22 -19.5 21.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.547 179.695 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.639 HG22 ' HB3' ' A' ' 15' ' ' LEU . 18.3 mt -72.13 -32.62 44.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.509 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.7 OUTLIER -65.41 -1.3 2.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.251 179.864 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 11.8 m-80 -91.86 -45.63 8.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.135 -179.871 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.0 OUTLIER -95.42 -41.94 8.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.98 -179.957 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -56.51 -38.61 72.04 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.863 -0.421 . . . . 0.0 109.863 179.384 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.509 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.1 -30.88 71.95 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.632 179.168 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -77.62 -30.05 52.11 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.173 179.462 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.0 mt -70.96 -52.9 24.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.138 179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.33 -20.59 60.75 Favored 'General case' 0 C--O 1.248 1.013 0 CA-C-O 118.044 -0.979 . . . . 0.0 110.846 179.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.365 0 O-C-N 117.725 -3.109 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 2' ' ' TRP . 4.7 tptp . . . . . 0 N--CA 1.488 1.442 0 CA-C-O 120.692 0.282 . . . . 0.0 111.118 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.456 ' N ' ' HG3' ' A' ' 1' ' ' LYS . 68.4 p-90 -86.06 13.75 7.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.066 -179.911 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.17 30.52 0.21 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.268 179.843 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -122.34 37.91 4.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.114 179.936 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.52 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 3.7 pp -135.16 -25.0 1.39 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.994 179.841 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 28.1 p-90 -79.48 -30.59 42.11 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.318 -179.624 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.469 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -51.94 -39.01 58.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.354 -179.27 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.519 ' HA ' HG13 ' A' ' 11' ' ' ILE . 0.7 OUTLIER -96.79 -26.61 15.07 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.891 -179.982 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 6.4 t80 -60.06 -27.88 67.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.754 -179.957 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -90.32 -12.69 36.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.566 179.695 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.558 HG22 HD23 ' A' ' 15' ' ' LEU . 34.2 mt -73.32 -34.95 45.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.978 179.863 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.6 OUTLIER -68.2 0.11 4.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.955 179.642 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -90.24 -51.8 5.26 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.076 -179.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.496 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 4.5 p-90 -87.74 -40.29 14.22 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.657 -0.247 . . . . 0.0 111.042 179.878 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.731 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.24 -39.07 74.8 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 179.445 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.16 -30.26 71.45 Favored 'General case' 0 C--N 1.33 -0.249 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 179.117 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -74.86 -21.0 59.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.719 179.156 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.731 HD12 ' HA ' ' A' ' 15' ' ' LEU . 8.0 mt -96.07 -74.92 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.893 179.627 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.2 ttpm? -53.59 -73.28 0.05 OUTLIER 'General case' 0 C--O 1.249 1.041 0 CA-C-O 118.097 -0.954 . . . . 0.0 111.047 -179.978 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 119.374 0.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.1 mttp . . . . . 0 N--CA 1.486 1.337 0 CA-C-O 120.839 0.352 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.4 ' HE3' HD21 ' A' ' 5' ' ' LEU . 64.5 p-90 -96.16 14.18 24.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.65 19.22 0.51 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.356 -179.979 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . 0.488 ' HA ' ' ND2' ' A' ' 7' ' ' ASN . 0.1 OUTLIER -114.17 22.39 13.86 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.086 -179.956 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.4 pp -119.2 -13.99 9.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.907 179.731 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.0 p-90 -90.34 -29.05 18.32 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.888 -179.904 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . 0.65 ' O ' HG13 ' A' ' 11' ' ' ILE . 30.0 m-80 -56.46 -57.92 10.26 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 121.205 0.526 . . . . 0.0 110.229 179.538 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.411 ' HA ' HD12 ' A' ' 11' ' ' ILE . 1.1 p-90 -68.51 -27.31 66.0 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.147 -0.933 . . . . 0.0 110.769 179.648 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.548 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 3.1 t80 -62.24 -22.85 66.3 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.483 179.666 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' O ' ' HB2' ' A' ' 13' ' ' ASN . 0.0 OUTLIER -99.39 -17.75 17.83 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.406 179.636 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.65 HG13 ' O ' ' A' ' 7' ' ' ASN . 37.1 mt -72.98 -31.93 37.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.862 179.786 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.54 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.4 OUTLIER -68.61 -1.17 6.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.004 179.667 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.415 ' HB2' ' O ' ' A' ' 10' ' ' ASN . 8.5 m-80 -89.69 -45.14 9.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.2 -179.825 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.545 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 1.2 p-90 -95.46 -41.05 9.17 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.014 179.951 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.933 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -57.43 -37.21 72.42 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 179.55 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.54 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.6 OUTLIER -63.75 -32.35 73.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.994 -0.548 . . . . 0.0 109.626 179.07 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -73.06 -33.59 65.76 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.166 179.484 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 15' ' ' LEU . 20.4 mt -69.41 -32.48 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.995 179.768 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 23.5 mmtt -77.69 -62.31 1.71 Allowed 'General case' 0 C--O 1.249 1.03 0 CA-C-O 118.066 -0.968 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 1 O-C-N 95.028 -17.295 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.421 ' HD2' ' HB2' ' A' ' 3' ' ' ALA . 0.5 OUTLIER . . . . . 0 N--CA 1.486 1.363 0 CA-C-O 120.677 0.275 . . . . 0.0 111.057 . . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . . . . . . . . . 65.0 p-90 -69.64 5.01 1.57 Allowed 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.536 -179.656 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.421 ' HB2' ' HD2' ' A' ' 1' ' ' LYS . . . -68.05 5.41 0.93 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.657 -179.949 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 58.0 p -102.63 33.12 3.3 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.691 0.281 . . . . 0.0 111.327 -179.793 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 9' ' ' PHE . 4.1 pp -129.99 -13.23 4.1 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.561 -0.291 . . . . 0.0 111.111 179.629 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -89.1 -31.7 17.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.913 179.906 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -55.31 -22.3 18.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.297 -0.411 . . . . 0.0 111.127 -179.667 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' TRP . . . . . 0.518 ' HA ' HG13 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -111.49 -24.43 10.15 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.652 179.88 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' A' ' 5' ' ' LEU . 5.5 t80 -64.34 -23.19 67.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.489 179.649 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.457 HD22 ' HE1' ' A' ' 14' ' ' TRP . 1.1 p-10 -92.14 -14.85 28.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.59 179.646 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.698 HG22 ' HB3' ' A' ' 15' ' ' LEU . 20.1 mt -76.31 -31.86 21.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.974 179.878 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' A' ' 16' ' ' TRP . 0.2 OUTLIER -63.63 -3.01 1.93 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.221 179.781 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 72.8 m-20 -89.96 -46.28 8.63 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.408 -179.869 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' TRP . . . . . 0.581 ' NE1' ' HA ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -95.19 -39.03 10.3 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.631 -0.259 . . . . 0.0 111.052 -179.863 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.746 ' HA ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -58.52 -36.53 73.97 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 179.458 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' TRP . . . . . 0.477 ' HB2' ' O ' ' A' ' 12' ' ' THR . 0.5 OUTLIER -62.6 -27.9 69.52 Favored 'General case' 0 C--N 1.332 -0.186 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 178.811 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -80.14 -29.79 38.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.186 -0.915 . . . . 0.0 109.884 179.163 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.746 HD12 ' HA ' ' A' ' 15' ' ' LEU . 62.7 mt -71.47 -41.02 72.85 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.929 179.731 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.99 -18.47 60.37 Favored 'General case' 0 C--O 1.249 1.053 0 CA-C-O 118.044 -0.979 . . . . 0.0 111.044 -179.992 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 119.268 0.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_