data_6cfa_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6cfa _Structure_validation_residue.Date_analyzed 2019-03-06 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' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.687 0.28 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -57.74 -44.37 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.51 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 4.4 mtmt -59.24 -26.06 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.584 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -90.23 -35.07 15.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.367 0.417 . . . . 0.0 111.108 -178.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.27 -31.25 63.97 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.34 -54.91 33.59 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.691 ' CD1' ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -66.38 -6.68 15.19 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.793 -0.763 . . . . 0.0 112.212 -178.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.416 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.4 -42.18 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.258 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.15 -32.67 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 121.025 0.44 . . . . 0.0 111.233 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.21 11.16 1.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.696 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.01 -48.21 76.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.839 -179.048 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.46 -23.89 63.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.258 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -90.97 -38.64 12.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.087 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.62 -26.13 60.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.11 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 112.054 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -12.99 15.97 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.649 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -41.96 14.47 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.591 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.429 HD11 HG21 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -82.53 -21.63 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.23 0.538 . . . . 0.0 109.591 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.93 14.56 23.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.824 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.152 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.06 -41.43 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.556 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.8 ttmm -58.88 -29.66 67.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.525 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.51 -48.24 7.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.08 0.467 . . . . 0.0 111.172 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.33 -27.6 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.909 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HG3' ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -72.01 -23.38 61.39 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.49 -178.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 4.8 mptp? -64.87 -41.35 95.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.503 HD12 HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -92.85 -17.43 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.284 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.16 13.9 33.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.263 179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.292 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.083 0.468 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ARG . 6.7 tp -56.11 -23.97 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.131 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 16.4 mtpp -59.51 -36.87 76.91 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.444 -0.503 . . . . 0.0 109.701 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -77.54 -39.62 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.313 0.578 . . . . 0.0 109.738 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' ILE . 30.5 mt -73.5 -26.44 60.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.078 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -59.47 -41.69 90.35 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.697 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.549 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -64.42 -18.7 64.97 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.854 179.153 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -87.51 -41.68 13.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.839 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.413 HD12 HG23 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -94.38 -21.5 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.441 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -103.08 16.44 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -179.842 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.957 0.408 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.38 -42.3 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.168 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.549 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -90.1 -37.66 14.08 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 -179.642 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 mt -71.51 -28.64 64.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.276 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG3' ' H ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -61.94 -42.12 98.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.484 -178.726 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -62.81 -17.09 60.71 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.303 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -80.44 -40.58 26.06 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.648 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.523 HD12 HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -88.92 -28.32 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.76 12.73 2.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.917 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.207 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.991 0.424 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.4 tp -56.22 -45.09 80.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -58.74 -27.94 65.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.437 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.568 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.47 -42.47 11.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.82 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.1 mt -71.42 -24.7 62.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HD2' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.01 -37.89 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.77 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.49 ' HG ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 mp -61.44 -12.94 16.68 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.021 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -38.63 17.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.319 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.74 -28.71 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.905 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.61 10.31 11.44 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -37.41 68.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.38 -31.74 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -82.59 -48.04 11.42 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.917 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 16' ' ' ILE . 49.2 mt -54.31 -39.16 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.793 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.91 -30.96 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.056 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.34 -37.52 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.362 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -41.18 64.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -72.13 -23.03 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.523 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.39 -15.97 25.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.504 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.023 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.234 0.263 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.9 -31.53 72.6 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.964 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.8 mtmt -58.76 -41.17 85.91 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.061 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -55.64 -33.8 64.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.054 0.454 . . . . 0.0 109.868 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.52 -31.6 63.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.69 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.514 ' HG3' ' N ' ' A' ' 14' ' ' LEU . 3.1 ppt_? -62.26 -36.56 82.43 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.537 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 4.4 mp -60.8 -15.3 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.762 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -40.14 16.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.441 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -90.45 -25.24 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.466 -179.408 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.421 ' N ' HD11 ' A' ' 16' ' ' ILE . . . -81.31 -6.02 58.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.183 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.378 . . . . 0.0 110.695 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.31 -34.93 66.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.773 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.34 -32.26 69.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -90.02 -33.15 16.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.73 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.42 -32.38 64.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.688 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.7 -43.58 98.58 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -61.69 -12.86 18.33 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.599 -178.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.53 -40.12 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.356 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -89.99 -25.22 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.63 -179.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.42 13.52 8.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.1 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.835 0.35 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp -55.17 -32.98 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.77 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -58.08 -31.91 67.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.462 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 1.2 mptm? -90.9 -42.71 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.096 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 8' ' ' LEU . 33.2 mt -66.82 -29.33 69.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.37 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' ALA . 2.5 ppt_? -61.44 -40.53 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.707 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HG ' ' NE ' ' A' ' 13' ' ' ARG . 1.3 mp -59.74 -19.1 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.167 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -86.38 -40.26 15.58 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.147 -179.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.84 -20.44 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -86.08 -4.76 59.24 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.332 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.421 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 31.9 Cg_exo . . . . . 0 N--CA 1.48 0.722 0 N-CA-C 109.44 -1.023 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.428 ' HA ' ' HB3' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -54.86 -33.54 61.93 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.699 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.61 68.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.978 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.421 ' HG3' ' CB ' ' A' ' 1' ' ' PRO . 0.0 OUTLIER -75.7 -32.82 60.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.321 0.581 . . . . 0.0 110.908 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.428 ' HB3' ' HA ' ' A' ' 2' ' ' MET . 0.7 OUTLIER -59.89 -46.41 89.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.445 -178.372 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.403 ' CD ' ' O ' ' A' ' 2' ' ' MET . 0.3 OUTLIER -56.28 -42.98 78.38 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.888 -179.177 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.625 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -64.09 -44.15 93.19 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.985 -179.225 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt -74.02 -39.74 63.38 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.551 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -57.74 -44.37 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.51 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.482 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 4.4 mtmt -59.24 -26.06 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.584 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -90.23 -35.07 15.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.367 0.417 . . . . 0.0 111.108 -178.542 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.4 mt -73.27 -31.25 63.97 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HG3' ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.34 -54.91 33.59 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.357 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.691 ' CD1' ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -66.38 -6.68 15.19 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.793 -0.763 . . . . 0.0 112.212 -178.371 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.416 ' N ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.4 -42.18 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.258 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -101.15 -32.67 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 121.025 0.44 . . . . 0.0 111.233 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -76.21 11.16 1.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -112.99 -5.99 13.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.88 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.711 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.48 0.694 0 N-CA-C 109.857 -0.863 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -17.57 32.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.86 -23.51 44.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.999 -179.288 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.452 ' CG ' ' N ' ' A' ' 5' ' ' ASN . 35.2 ptt180 -70.07 -40.47 75.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.36 0.6 . . . . 0.0 110.297 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 36.2 t30 -61.75 -41.71 98.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.46 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -56.12 -34.75 66.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.653 0.263 . . . . 0.0 111.109 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 2.3 mmtm -74.45 -41.18 61.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.251 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -84.21 -27.59 27.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.08 -178.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -56.01 -48.21 76.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.839 -179.048 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.46 -23.89 63.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.258 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -90.97 -38.64 12.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.087 179.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.62 -26.13 60.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.41 ' HG2' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.11 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 112.054 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.33 -12.99 15.97 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.649 -178.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -41.96 14.47 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.591 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.429 HD11 HG21 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -82.53 -21.63 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.23 0.538 . . . . 0.0 109.591 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -95.93 14.56 23.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.824 178.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -88.79 10.53 20.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.851 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.788 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.462 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 14.9 Cg_exo . . . . . 0 N--CA 1.478 0.61 0 N-CA-C 109.503 -0.999 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -13.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.968 0.413 . . . . 0.0 110.525 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . 0.408 ' O ' ' HG2' ' A' ' 7' ' ' LYS . . . -56.79 -31.17 64.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.091 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.462 ' CG ' ' O ' ' A' ' 1' ' ' PRO . 0.0 OUTLIER -71.05 -31.63 68.12 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.348 -179.002 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -61.14 -46.55 90.09 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.914 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 17.5 mmtm -56.88 -33.76 67.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.621 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 3.3 mmtm -74.15 -39.26 63.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.96 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -82.64 -45.11 14.94 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.847 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.06 -41.43 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.556 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 6' ' ' LYS . 3.8 ttmm -58.88 -29.66 67.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.525 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.51 -48.24 7.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.08 0.467 . . . . 0.0 111.172 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.33 -27.6 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.909 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.416 ' HG3' ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.903 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -72.01 -23.38 61.39 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.49 -178.644 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.409 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 4.8 mptp? -64.87 -41.35 95.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.503 HD12 HG22 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -92.85 -17.43 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.284 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' C ' ' H ' ' A' ' 19' ' ' LYS . . . -102.16 13.9 33.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.263 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.83 10.24 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.754 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.629 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 N--CA 1.479 0.634 0 N-CA-C 109.211 -1.111 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -13.7 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.153 0.501 . . . . 0.0 110.046 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.01 67.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.006 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.1 ptt180 -55.59 -39.72 71.07 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.382 -179.684 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -61.84 -42.41 99.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -57.48 -35.84 70.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.221 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -67.95 -39.32 83.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.091 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt -78.43 -23.4 46.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 0.0 109.902 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ARG . 6.7 tp -56.11 -23.97 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.131 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' H ' ' HG3' ' A' ' 10' ' ' LYS . 16.4 mtpp -59.51 -36.87 76.91 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.444 -0.503 . . . . 0.0 109.701 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -77.54 -39.62 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.313 0.578 . . . . 0.0 109.738 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' O ' HG23 ' A' ' 16' ' ' ILE . 30.5 mt -73.5 -26.44 60.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.078 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.549 ' HG3' ' N ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -59.47 -41.69 90.35 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.697 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.549 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -64.42 -18.7 64.97 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.854 179.153 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -87.51 -41.68 13.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.839 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.521 ' O ' ' NZ ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -94.38 -21.5 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.441 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -103.08 16.44 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -64.98 -17.67 64.62 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.843 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.663 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo . . . . . 0 N--CA 1.484 0.97 0 N-CA-C 109.906 -0.844 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -14.1 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.248 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.81 -28.38 48.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.402 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -58.01 -34.97 70.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.45 . . . . 0.0 109.81 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -33.57 69.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.853 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -32.39 59.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.532 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.477 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -60.37 -41.47 93.81 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.26 -43.0 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.153 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.38 -42.3 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.168 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.549 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -90.1 -37.66 14.08 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 -179.642 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 mt -71.51 -28.64 64.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.276 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.446 ' HG3' ' H ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -61.94 -42.12 98.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.484 -178.726 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' H ' ' HG3' ' A' ' 13' ' ' ARG . 1.0 OUTLIER -62.81 -17.09 60.71 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.303 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -80.44 -40.58 26.06 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.648 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.523 HD12 HG21 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -88.92 -28.32 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.76 12.73 2.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.917 179.198 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -12.87 59.14 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.207 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.671 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.394 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 CA--C 1.527 0.166 0 N-CA-C 109.872 -0.857 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.541 ' N ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -55.41 -12.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.635 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.51 -43.36 71.8 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.646 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.7 ptt85 -58.72 -40.27 83.24 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.273 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.68 -38.44 87.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.371 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -33.04 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.395 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.0 -41.33 64.4 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.038 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.19 -36.19 40.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 0.0 110.545 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 21.4 tp -56.22 -45.09 80.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -58.74 -27.94 65.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.437 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.568 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.47 -42.47 11.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.82 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.1 mt -71.42 -24.7 62.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HD2' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.01 -37.89 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.77 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 ' HG ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 mp -61.44 -12.94 16.68 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.021 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -38.63 17.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.319 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -100.74 -28.71 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.905 -178.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.61 10.31 11.44 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -114.65 0.15 13.81 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.413 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.752 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.653 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.474 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 4.9 Cg_exo . . . . . 0 N--CA 1.481 0.777 0 N-CA-C 109.523 -0.991 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -13.45 60.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.36 -43.41 86.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 1' ' ' PRO . 3.8 ptt180 -53.42 -39.3 64.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.52 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -62.26 -36.56 82.43 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.864 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.429 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 7.1 mmtp -58.91 -35.42 73.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.83 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -66.52 -44.21 83.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 109.711 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.82 -30.56 65.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.179 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -37.41 68.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.38 -31.74 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -82.59 -48.04 11.42 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.917 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.456 ' O ' HG23 ' A' ' 16' ' ' ILE . 49.2 mt -54.31 -39.16 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.793 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.458 ' HD3' ' C ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.91 -30.96 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.056 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -73.34 -37.52 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.362 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -41.18 64.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -72.13 -23.03 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.523 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -93.39 -15.97 25.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.504 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.36 -12.69 22.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.023 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.448 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.67 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.217 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo . . . . . 0 N--CA 1.478 0.596 0 N-CA-C 109.064 -1.168 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -17.62 3.61 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.589 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -57.17 -22.58 41.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.314 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptt180 -71.39 -39.48 71.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.044 0.449 . . . . 0.0 110.409 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -36.3 80.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 8.2 mmtm -56.88 -36.53 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.354 -179.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 4.5 mmtm -68.95 -31.18 69.87 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.883 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp -85.31 -29.01 24.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.936 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 14.8 mt -62.9 -31.53 72.6 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.964 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 13' ' ' ARG . 8.8 mtmt -58.76 -41.17 85.91 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.061 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -55.64 -33.8 64.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.054 0.454 . . . . 0.0 109.868 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 31.9 mt -73.52 -31.6 63.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.69 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' HG3' ' N ' ' A' ' 14' ' ' LEU . 3.1 ppt_? -62.26 -36.56 82.43 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.537 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.514 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 4.4 mp -60.8 -15.3 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.762 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -40.14 16.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.441 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.421 HD11 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -90.45 -25.24 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.466 -179.408 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.421 ' N ' HD11 ' A' ' 16' ' ' ILE . . . -81.31 -6.02 58.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.183 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -77.7 6.67 6.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.378 . . . . 0.0 110.695 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.812 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.18 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . 0.415 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 24.2 Cg_exo . . . . . 0 N--CA 1.481 0.763 0 N-CA-C 109.357 -1.055 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -14.13 7.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.67 72.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.044 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.415 ' HG3' ' O ' ' A' ' 1' ' ' PRO . 0.0 OUTLIER -74.59 -36.81 63.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.937 0.399 . . . . 0.0 110.302 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 25.4 m-20 -60.78 -36.07 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.707 -179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -56.2 -33.63 65.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 12.6 mptt -63.69 -44.62 93.17 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -74.44 -32.22 62.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.143 179.148 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.0 tp -56.31 -34.93 66.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.773 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.34 -32.26 69.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.493 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.5 OUTLIER -90.02 -33.15 16.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.73 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.7 mt -73.42 -32.38 64.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.688 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.422 ' HD3' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.7 -43.58 98.58 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.606 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' HG ' ' O ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -61.69 -12.86 18.33 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.599 -178.551 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.53 -40.12 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.356 179.246 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . 0.418 HD11 ' O ' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -89.99 -25.22 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.63 -179.263 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.42 13.52 8.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.1 -0.7 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.821 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.197 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 C--O 1.237 0.434 0 N-CA-C 109.682 -0.93 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -15.05 2.56 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.06 -21.52 12.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.521 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.424 ' HA ' ' HG2' ' A' ' 7' ' ' LYS . 22.6 ptt180 -54.54 -30.9 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.549 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.01 -45.77 92.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.43 179.409 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' A' ' 5' ' ' ASN . 37.5 mmtm -61.39 -34.62 75.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.827 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HG2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -64.09 -42.41 96.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.1 mt -84.54 -25.8 28.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.111 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 5' ' ' ASN . 17.9 tp -55.17 -32.98 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.77 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -58.08 -31.91 67.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.462 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 1.2 mptm? -90.9 -42.71 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.096 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 8' ' ' LEU . 33.2 mt -66.82 -29.33 69.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.37 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' ALA . 2.5 ppt_? -61.44 -40.53 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.707 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.408 ' HG ' ' NE ' ' A' ' 13' ' ' ARG . 1.3 mp -59.74 -19.1 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.167 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -86.38 -40.26 15.58 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.147 -179.634 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -98.84 -20.44 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' A' ' 13' ' ' ARG . . . -86.08 -4.76 59.24 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.332 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.523 ' HB3' ' HD2' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -110.66 -26.59 9.34 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.523 ' HD2' ' HB3' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.318 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.687 0.28 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -57.74 -44.37 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.51 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.547 ' O ' HD11 ' A' ' 14' ' ' LEU . 4.4 mtmt -59.24 -26.06 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -90.23 -35.07 15.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.367 0.417 . . . . 0.0 111.108 -178.542 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 16' ' ' ILE . 15.4 mt -73.27 -31.25 63.97 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.715 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.34 -54.91 33.59 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.357 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.046 HD13 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -66.38 -6.68 15.19 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.793 -0.763 . . . . 0.0 112.212 -178.371 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' N ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.4 -42.18 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.258 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.624 HD13 ' H ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -101.15 -32.67 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 121.025 0.44 . . . . 0.0 111.233 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.624 ' H ' HD13 ' A' ' 16' ' ' ILE . . . -76.21 11.16 1.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.696 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -56.01 -48.21 76.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.839 -179.048 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.46 -23.89 63.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.258 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.7 mptm? -90.97 -38.64 12.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.087 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.62 -26.13 60.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.11 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 112.054 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -61.33 -12.99 15.97 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.649 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -41.96 14.47 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.591 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -82.53 -21.63 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.23 0.538 . . . . 0.0 109.591 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.601 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -95.93 14.56 23.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.824 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.152 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.06 -41.43 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.556 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 ttmm -58.88 -29.66 67.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.51 -48.24 7.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.08 0.467 . . . . 0.0 111.172 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.33 -27.6 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.909 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.632 ' O ' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.903 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -72.01 -23.38 61.39 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.49 -178.644 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 4.8 mptp? -64.87 -41.35 95.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -92.85 -17.43 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.284 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.585 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -102.16 13.9 33.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.263 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.292 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.083 0.468 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ARG . 6.7 tp -56.11 -23.97 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.131 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -59.51 -36.87 76.91 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.444 -0.503 . . . . 0.0 109.701 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -77.54 -39.62 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.313 0.578 . . . . 0.0 109.738 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 16' ' ' ILE . 30.5 mt -73.5 -26.44 60.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.078 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.47 -41.69 90.35 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.697 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.548 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -64.42 -18.7 64.97 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.854 179.153 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -87.51 -41.68 13.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.839 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -94.38 -21.5 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.441 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.837 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -103.08 16.44 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -179.842 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.957 0.408 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.38 -42.3 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' O ' HD11 ' A' ' 14' ' ' LEU . 3.6 mtmt -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.168 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -90.1 -37.66 14.08 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 -179.642 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 mt -71.51 -28.64 64.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.276 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.94 -42.12 98.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.484 -178.726 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -62.81 -17.09 60.71 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.303 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -80.44 -40.58 26.06 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.648 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.807 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -88.92 -28.32 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.807 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -80.76 12.73 2.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.917 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.207 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.991 0.424 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 9' ' ' LEU . 21.4 tp -56.22 -45.09 80.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -58.74 -27.94 65.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.437 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.593 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.47 -42.47 11.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.82 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.1 mt -71.42 -24.7 62.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HD2' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.01 -37.89 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.77 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.517 ' HG ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 mp -61.44 -12.94 16.68 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.021 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -38.63 17.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.319 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.66 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -100.74 -28.71 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.905 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.66 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -84.61 10.31 11.44 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -37.41 68.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.38 -31.74 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -82.59 -48.04 11.42 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.917 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 16' ' ' ILE . 49.2 mt -54.31 -39.16 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.793 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.668 ' CD ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.91 -30.96 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.056 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD23 ' CD ' ' A' ' 13' ' ' ARG . 9.7 mt -73.34 -37.52 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.362 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -41.18 64.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -72.13 -23.03 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.523 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.749 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -93.39 -15.97 25.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.023 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.234 0.263 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.626 HD23 HD12 ' A' ' 12' ' ' LEU . 14.8 mt -62.9 -31.53 72.6 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.964 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.614 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.8 mtmt -58.76 -41.17 85.91 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.061 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -55.64 -33.8 64.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.054 0.454 . . . . 0.0 109.868 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.626 HD12 HD23 ' A' ' 9' ' ' LEU . 31.9 mt -73.52 -31.6 63.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.69 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 3.1 ppt_? -62.26 -36.56 82.43 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.537 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 10' ' ' LYS . 4.4 mp -60.8 -15.3 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.762 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -40.14 16.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.441 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -90.45 -25.24 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.466 -179.408 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -81.31 -6.02 58.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.183 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.378 . . . . 0.0 110.695 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 9' ' ' LEU . 10.0 tp -56.31 -34.93 66.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.773 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.34 -32.26 69.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.02 -33.15 16.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.73 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 6.7 mt -73.42 -32.38 64.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.7 -43.58 98.58 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.606 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -61.69 -12.86 18.33 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.599 -178.551 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.53 -40.12 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.356 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.701 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -89.99 -25.22 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.63 -179.263 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.701 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -86.42 13.52 8.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.1 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.835 0.35 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp -55.17 -32.98 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.77 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -58.08 -31.91 67.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.462 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.556 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.2 mptm? -90.9 -42.71 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.096 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 8' ' ' LEU . 33.2 mt -66.82 -29.33 69.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.37 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' ALA . 2.5 ppt_? -61.44 -40.53 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.707 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HG ' ' NE ' ' A' ' 13' ' ' ARG . 1.3 mp -59.74 -19.1 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.167 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -86.38 -40.26 15.58 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.147 -179.634 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.831 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -98.84 -20.44 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.736 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.831 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -86.08 -4.76 59.24 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.332 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.421 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 31.9 Cg_exo . . . . . 0 N--CA 1.48 0.722 0 N-CA-C 109.44 -1.023 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.462 ' HA ' ' HB3' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -54.86 -33.54 61.93 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.699 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.61 68.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.978 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.793 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -75.7 -32.82 60.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.321 0.581 . . . . 0.0 110.908 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.508 HD21 HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -59.89 -46.41 89.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.445 -178.372 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' HD2' ' O ' ' A' ' 2' ' ' MET . 0.3 OUTLIER -56.28 -42.98 78.38 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.888 -179.177 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.625 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -64.09 -44.15 93.19 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.985 -179.225 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.4 mt -74.02 -39.74 63.38 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.551 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 5' ' ' ASN . 5.4 tp -57.74 -44.37 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.51 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.547 ' O ' HD11 ' A' ' 14' ' ' LEU . 4.4 mtmt -59.24 -26.06 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -90.23 -35.07 15.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.367 0.417 . . . . 0.0 111.108 -178.542 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 16' ' ' ILE . 15.4 mt -73.27 -31.25 63.97 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.715 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.34 -54.91 33.59 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.357 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.046 ' H ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -66.38 -6.68 15.19 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.793 -0.763 . . . . 0.0 112.212 -178.371 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' N ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.4 -42.18 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.258 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.624 HD13 ' H ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -101.15 -32.67 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 121.025 0.44 . . . . 0.0 111.233 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.624 ' H ' HD13 ' A' ' 16' ' ' ILE . . . -76.21 11.16 1.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -112.99 -5.99 13.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.88 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.711 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.48 0.694 0 N-CA-C 109.857 -0.863 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -17.57 32.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.509 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . . . -56.86 -23.51 44.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.999 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.505 ' O ' HD12 ' A' ' 8' ' ' LEU . 35.2 ptt180 -70.07 -40.47 75.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.36 0.6 . . . . 0.0 110.297 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 36.2 t30 -61.75 -41.71 98.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.46 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -56.12 -34.75 66.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.653 0.263 . . . . 0.0 111.109 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 2.3 mmtm -74.45 -41.18 61.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.251 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER -84.21 -27.59 27.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.08 -178.655 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD23 ' OD1' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -56.01 -48.21 76.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.839 -179.048 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.46 -23.89 63.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.258 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.7 mptm? -90.97 -38.64 12.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.087 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.62 -26.13 60.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.11 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 112.054 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -61.33 -12.99 15.97 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.649 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -41.96 14.47 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.591 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -82.53 -21.63 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.23 0.538 . . . . 0.0 109.591 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.601 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -95.93 14.56 23.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.824 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -88.79 10.53 20.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.851 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.788 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.462 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 14.9 Cg_exo . . . . . 0 N--CA 1.478 0.61 0 N-CA-C 109.503 -0.999 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -13.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.968 0.413 . . . . 0.0 110.525 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 7' ' ' LYS . . . -56.79 -31.17 64.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.091 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.646 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -71.05 -31.63 68.12 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.348 -179.002 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -61.14 -46.55 90.09 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.914 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 17.5 mmtm -56.88 -33.76 67.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.621 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 3.3 mmtm -74.15 -39.26 63.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.96 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -82.64 -45.11 14.94 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.847 -179.703 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.06 -41.43 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.556 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 ttmm -58.88 -29.66 67.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.51 -48.24 7.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.08 0.467 . . . . 0.0 111.172 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.33 -27.6 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.909 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.632 ' O ' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.903 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -72.01 -23.38 61.39 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.49 -178.644 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 4.8 mptp? -64.87 -41.35 95.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -92.85 -17.43 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.284 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.585 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -102.16 13.9 33.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.263 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.83 10.24 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' CD ' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.754 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.629 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 N--CA 1.479 0.634 0 N-CA-C 109.211 -1.111 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -13.7 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.153 0.501 . . . . 0.0 110.046 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.01 67.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.006 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 8' ' ' LEU . 11.1 ptt180 -55.59 -39.72 71.07 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.382 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -61.84 -42.41 99.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -57.48 -35.84 70.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.221 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -67.95 -39.32 83.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.091 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.1 mt -78.43 -23.4 46.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 0.0 109.902 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ARG . 6.7 tp -56.11 -23.97 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.131 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -59.51 -36.87 76.91 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.444 -0.503 . . . . 0.0 109.701 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -77.54 -39.62 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.313 0.578 . . . . 0.0 109.738 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 16' ' ' ILE . 30.5 mt -73.5 -26.44 60.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.078 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.47 -41.69 90.35 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.697 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.548 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -64.42 -18.7 64.97 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.854 179.153 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -87.51 -41.68 13.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.839 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -94.38 -21.5 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.441 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.837 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -103.08 16.44 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -64.98 -17.67 64.62 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.843 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.663 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo . . . . . 0 N--CA 1.484 0.97 0 N-CA-C 109.906 -0.844 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -14.1 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.248 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.81 -28.38 48.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.402 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -58.01 -34.97 70.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.45 . . . . 0.0 109.81 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -33.57 69.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.853 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -32.39 59.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.532 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' HD3' ' H ' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -60.37 -41.47 93.81 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.26 -43.0 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.153 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.38 -42.3 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' O ' HD11 ' A' ' 14' ' ' LEU . 3.6 mtmt -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.168 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -90.1 -37.66 14.08 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 -179.642 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 mt -71.51 -28.64 64.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.276 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.94 -42.12 98.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.484 -178.726 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -62.81 -17.09 60.71 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.303 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -80.44 -40.58 26.06 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.648 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.807 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -88.92 -28.32 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.807 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -80.76 12.73 2.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.917 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -12.87 59.14 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.207 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.671 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.394 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 CA--C 1.527 0.166 0 N-CA-C 109.872 -0.857 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.541 ' N ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -55.41 -12.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.635 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.51 -43.36 71.8 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.646 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.7 ptt85 -58.72 -40.27 83.24 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.273 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.68 -38.44 87.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.371 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -33.04 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.395 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.0 -41.33 64.4 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.038 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.19 -36.19 40.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 0.0 110.545 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 9' ' ' LEU . 21.4 tp -56.22 -45.09 80.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -58.74 -27.94 65.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.437 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.593 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.47 -42.47 11.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.82 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.1 mt -71.42 -24.7 62.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HD2' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.01 -37.89 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.77 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.517 ' HG ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 mp -61.44 -12.94 16.68 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.021 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -38.63 17.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.319 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.66 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -100.74 -28.71 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.905 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.66 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -84.61 10.31 11.44 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -114.65 0.15 13.81 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.413 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.752 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.653 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.474 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 4.9 Cg_exo . . . . . 0 N--CA 1.481 0.777 0 N-CA-C 109.523 -0.991 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -13.45 60.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.36 -43.41 86.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 1' ' ' PRO . 3.8 ptt180 -53.42 -39.3 64.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.52 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -62.26 -36.56 82.43 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.864 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 7.1 mmtp -58.91 -35.42 73.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.83 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -66.52 -44.21 83.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 109.711 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.82 -30.56 65.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.179 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -37.41 68.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.38 -31.74 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -82.59 -48.04 11.42 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.917 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 16' ' ' ILE . 49.2 mt -54.31 -39.16 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.793 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.668 ' CD ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.91 -30.96 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.056 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD23 ' CD ' ' A' ' 13' ' ' ARG . 9.7 mt -73.34 -37.52 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.362 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -41.18 64.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -72.13 -23.03 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.523 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.749 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -93.39 -15.97 25.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.36 -12.69 22.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.023 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.67 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.217 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo . . . . . 0 N--CA 1.478 0.596 0 N-CA-C 109.064 -1.168 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -17.62 3.61 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.589 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . . . -57.17 -22.58 41.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.314 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 8' ' ' LEU . 4.7 ptt180 -71.39 -39.48 71.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.044 0.449 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -61.59 -36.3 80.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' HA ' HD12 ' A' ' 9' ' ' LEU . 8.2 mmtm -56.88 -36.53 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.354 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 4.5 mmtm -68.95 -31.18 69.87 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.883 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.2 mp -85.31 -29.01 24.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.936 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.626 HD23 HD12 ' A' ' 12' ' ' LEU . 14.8 mt -62.9 -31.53 72.6 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.964 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.614 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.8 mtmt -58.76 -41.17 85.91 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.061 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' CD ' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -55.64 -33.8 64.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.054 0.454 . . . . 0.0 109.868 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.626 HD12 HD23 ' A' ' 9' ' ' LEU . 31.9 mt -73.52 -31.6 63.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.69 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 3.1 ppt_? -62.26 -36.56 82.43 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.537 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 10' ' ' LYS . 4.4 mp -60.8 -15.3 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.762 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -40.14 16.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.441 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -90.45 -25.24 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.466 -179.408 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -81.31 -6.02 58.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.183 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -77.7 6.67 6.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.378 . . . . 0.0 110.695 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' N ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.812 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.18 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PRO . . . . . 0.44 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 24.2 Cg_exo . . . . . 0 N--CA 1.481 0.763 0 N-CA-C 109.357 -1.055 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -14.13 7.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.67 72.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.044 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 1' ' ' PRO . 0.0 OUTLIER -74.59 -36.81 63.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.937 0.399 . . . . 0.0 110.302 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.713 ' HA ' HD12 ' A' ' 8' ' ' LEU . 25.4 m-20 -60.78 -36.07 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.707 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -56.2 -33.63 65.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 12.6 mptt -63.69 -44.62 93.17 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 5' ' ' ASN . 0.8 OUTLIER -74.44 -32.22 62.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.143 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 9' ' ' LEU . 10.0 tp -56.31 -34.93 66.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.773 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.34 -32.26 69.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.02 -33.15 16.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.73 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 6.7 mt -73.42 -32.38 64.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.7 -43.58 98.58 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.606 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -61.69 -12.86 18.33 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.599 -178.551 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.53 -40.12 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.356 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.701 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -89.99 -25.22 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.63 -179.263 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.701 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -86.42 13.52 8.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.1 -0.7 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.821 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.197 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 C--O 1.237 0.434 0 N-CA-C 109.682 -0.93 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -15.05 2.56 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.06 -21.52 12.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.521 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.649 ' O ' HD12 ' A' ' 8' ' ' LEU . 22.6 ptt180 -54.54 -30.9 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.549 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.01 -45.77 92.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.43 179.409 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' A' ' 5' ' ' ASN . 37.5 mmtm -61.39 -34.62 75.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.827 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -64.09 -42.41 96.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.1 mt -84.54 -25.8 28.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.111 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 5' ' ' ASN . 17.9 tp -55.17 -32.98 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.77 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -58.08 -31.91 67.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.462 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.556 ' HD2' ' N ' ' A' ' 11' ' ' LYS . 1.2 mptm? -90.9 -42.71 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.096 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 8' ' ' LEU . 33.2 mt -66.82 -29.33 69.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.37 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' ALA . 2.5 ppt_? -61.44 -40.53 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.707 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HG ' ' NE ' ' A' ' 13' ' ' ARG . 1.3 mp -59.74 -19.1 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.167 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -86.38 -40.26 15.58 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.147 -179.634 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.831 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -98.84 -20.44 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.736 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.831 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -86.08 -4.76 59.24 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.332 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.563 ' HB3' ' HD2' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -110.66 -26.59 9.34 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HD2' ' HB3' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.318 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.4 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.687 0.28 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.4 tp -57.74 -44.37 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.51 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.547 ' O ' HD11 ' A' ' 14' ' ' LEU . 4.4 mtmt -59.24 -26.06 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -90.23 -35.07 15.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.367 0.417 . . . . 0.0 111.108 -178.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 16' ' ' ILE . 15.4 mt -73.27 -31.25 63.97 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.715 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.34 -54.91 33.59 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.046 HD13 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -66.38 -6.68 15.19 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.793 -0.763 . . . . 0.0 112.212 -178.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.609 ' N ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.4 -42.18 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.258 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.624 HD13 ' H ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -101.15 -32.67 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 121.025 0.44 . . . . 0.0 111.233 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.624 ' H ' HD13 ' A' ' 16' ' ' ILE . . . -76.21 11.16 1.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 . . . . . 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.696 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.172 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.418 HD13 ' O ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -56.01 -48.21 76.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.839 -179.048 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.46 -23.89 63.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.258 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.7 mptm? -90.97 -38.64 12.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.087 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.62 -26.13 60.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.11 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 112.054 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -61.33 -12.99 15.97 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.649 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -41.96 14.47 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.591 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.601 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -82.53 -21.63 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.23 0.538 . . . . 0.0 109.591 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.601 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -95.93 14.56 23.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.824 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.0 t80 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.152 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.234 0.268 0 CA-C-O 120.877 0.37 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.06 -41.43 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.556 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.57 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 ttmm -58.88 -29.66 67.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.51 -48.24 7.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.08 0.467 . . . . 0.0 111.172 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.33 -27.6 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.909 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.632 ' O ' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -72.01 -23.38 61.39 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.49 -178.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 4.8 mptp? -64.87 -41.35 95.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -92.85 -17.43 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.284 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.585 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -102.16 13.9 33.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.263 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 t80 . . . . . 0 C--N 1.329 -0.321 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.292 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 C--O 1.233 0.21 0 CA-C-O 121.083 0.468 . . . . 0.0 109.902 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ARG . 6.7 tp -56.11 -23.97 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.131 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -59.51 -36.87 76.91 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.444 -0.503 . . . . 0.0 109.701 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -77.54 -39.62 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.313 0.578 . . . . 0.0 109.738 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 16' ' ' ILE . 30.5 mt -73.5 -26.44 60.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.078 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.47 -41.69 90.35 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.697 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.548 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -64.42 -18.7 64.97 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.854 179.153 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -87.51 -41.68 13.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.839 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -94.38 -21.5 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.441 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.837 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -103.08 16.44 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 CA--C 1.512 -0.501 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -179.842 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp . . . . . 0 C--O 1.233 0.185 0 CA-C-O 120.957 0.408 . . . . 0.0 110.153 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.38 -42.3 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' O ' HD11 ' A' ' 14' ' ' LEU . 3.6 mtmt -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.168 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -90.1 -37.66 14.08 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 -179.642 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 mt -71.51 -28.64 64.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.276 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.94 -42.12 98.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.484 -178.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -62.81 -17.09 60.71 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.303 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -80.44 -40.58 26.06 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.648 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.807 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -88.92 -28.32 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.807 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -80.76 12.73 2.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.917 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.235 0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.207 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 C--O 1.235 0.298 0 CA-C-O 120.991 0.424 . . . . 0.0 110.545 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 9' ' ' LEU . 21.4 tp -56.22 -45.09 80.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -58.74 -27.94 65.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.437 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.593 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.47 -42.47 11.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.82 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.1 mt -71.42 -24.7 62.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HD2' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.01 -37.89 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.77 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.517 ' HG ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 mp -61.44 -12.94 16.68 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.021 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -38.63 17.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.319 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.66 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -100.74 -28.71 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.905 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.66 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -84.61 10.31 11.44 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--N 1.327 -0.399 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.973 0.416 . . . . 0.0 110.179 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -37.41 68.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.38 -31.74 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -82.59 -48.04 11.42 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.917 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 16' ' ' ILE . 49.2 mt -54.31 -39.16 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.793 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.668 ' CD ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.91 -30.96 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.056 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.668 HD23 ' CD ' ' A' ' 13' ' ' ARG . 9.7 mt -73.34 -37.52 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.362 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -41.18 64.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -72.13 -23.03 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.523 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.749 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -93.39 -15.97 25.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 . . . . . 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.023 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.234 0.263 0 N-CA-C 109.936 -0.394 . . . . 0.0 109.936 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.626 HD23 HD12 ' A' ' 12' ' ' LEU . 14.8 mt -62.9 -31.53 72.6 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.964 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.614 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.8 mtmt -58.76 -41.17 85.91 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.061 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.57 ' N ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -55.64 -33.8 64.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.054 0.454 . . . . 0.0 109.868 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.626 HD12 HD23 ' A' ' 9' ' ' LEU . 31.9 mt -73.52 -31.6 63.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.69 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 3.1 ppt_? -62.26 -36.56 82.43 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.537 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 10' ' ' LYS . 4.4 mp -60.8 -15.3 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.762 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -40.14 16.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.441 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -90.45 -25.24 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.466 -179.408 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -81.31 -6.02 58.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.183 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 . . . . . 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.378 . . . . 0.0 110.695 -179.718 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 9' ' ' LEU . 10.0 tp -56.31 -34.93 66.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.773 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.34 -32.26 69.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.02 -33.15 16.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.73 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 6.7 mt -73.42 -32.38 64.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.7 -43.58 98.58 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -61.69 -12.86 18.33 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.599 -178.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.53 -40.12 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.356 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.701 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -89.99 -25.22 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.63 -179.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.701 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -86.42 13.52 8.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.1 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.835 0.35 . . . . 0.0 110.111 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.9 tp -55.17 -32.98 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.77 -179.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -58.08 -31.91 67.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.462 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.556 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.2 mptm? -90.9 -42.71 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.096 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 8' ' ' LEU . 33.2 mt -66.82 -29.33 69.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.37 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' ALA . 2.5 ppt_? -61.44 -40.53 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.707 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HG ' ' NE ' ' A' ' 13' ' ' ARG . 1.3 mp -59.74 -19.1 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.167 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -86.38 -40.26 15.58 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.147 -179.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.831 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -98.84 -20.44 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.736 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.831 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -86.08 -4.76 59.24 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.332 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.326 -0.435 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.421 ' CB ' ' HG3' ' A' ' 4' ' ' ARG . 31.9 Cg_exo . . . . . 0 N--CA 1.48 0.722 0 N-CA-C 109.44 -1.023 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.462 ' HA ' ' HB3' ' A' ' 5' ' ' ASN . 0.0 OUTLIER -54.86 -33.54 61.93 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.699 -179.539 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.61 68.24 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.978 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.793 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -75.7 -32.82 60.25 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.321 0.581 . . . . 0.0 110.908 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.508 HD21 HD13 ' A' ' 9' ' ' LEU . 0.7 OUTLIER -59.89 -46.41 89.42 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.445 -178.372 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.419 ' HD2' ' O ' ' A' ' 2' ' ' MET . 0.3 OUTLIER -56.28 -42.98 78.38 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.888 -179.177 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.625 ' CD ' ' N ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -64.09 -44.15 93.19 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.985 -179.225 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.793 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.4 mt -74.02 -39.74 63.38 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.551 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.508 HD13 HD21 ' A' ' 5' ' ' ASN . 5.4 tp -57.74 -44.37 86.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.51 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.547 ' O ' HD11 ' A' ' 14' ' ' LEU . 4.4 mtmt -59.24 -26.06 64.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.754 -179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.606 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -90.23 -35.07 15.53 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 123.367 0.417 . . . . 0.0 111.108 -178.542 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.431 ' O ' HG23 ' A' ' 16' ' ' ILE . 15.4 mt -73.27 -31.25 63.97 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 113.074 0.768 . . . . 0.0 113.074 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.715 ' HG3' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.34 -54.91 33.59 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 113.851 1.056 . . . . 0.0 113.851 -176.357 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.046 HD13 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -66.38 -6.68 15.19 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 119.793 -0.763 . . . . 0.0 112.212 -178.371 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.609 ' N ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.4 -42.18 14.76 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.258 179.677 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.624 HD13 ' H ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -101.15 -32.67 3.43 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.801 0 CA-C-O 121.025 0.44 . . . . 0.0 111.233 -179.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.624 ' H ' HD13 ' A' ' 16' ' ' ILE . . . -76.21 11.16 1.61 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -112.99 -5.99 13.77 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.623 -0.51 . . . . 0.0 109.623 179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' NZ ' ' O ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.212 -0.88 0 CA-C-O 117.863 -1.065 . . . . 0.0 109.711 -179.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo . . . . . 0 N--CA 1.48 0.694 0 N-CA-C 109.857 -0.863 . . . . 0.0 109.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -59.48 -17.57 32.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.839 0.352 . . . . 0.0 110.921 -179.764 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.509 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . . . -56.86 -23.51 44.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.999 -179.288 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.505 ' O ' HD12 ' A' ' 8' ' ' LEU . 35.2 ptt180 -70.07 -40.47 75.01 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.36 0.6 . . . . 0.0 110.297 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.452 ' N ' ' CG ' ' A' ' 4' ' ' ARG . 36.2 t30 -61.75 -41.71 98.03 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.46 -178.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -56.12 -34.75 66.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.653 0.263 . . . . 0.0 111.109 -179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.572 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 2.3 mmtm -74.45 -41.18 61.27 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.251 -179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.505 HD12 ' O ' ' A' ' 4' ' ' ARG . 0.7 OUTLIER -84.21 -27.59 27.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.248 -0.433 . . . . 0.0 112.08 -178.655 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.44 HD23 ' OD1' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -56.01 -48.21 76.36 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.547 -0.461 . . . . 0.0 110.839 -179.048 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 13' ' ' ARG . 0.0 OUTLIER -59.46 -23.89 63.1 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.568 -0.453 . . . . 0.0 110.258 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.425 ' HA ' HD21 ' A' ' 14' ' ' LEU . 1.7 mptm? -90.97 -38.64 12.72 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.087 179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 22.3 mt -73.62 -26.13 60.64 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.953 0.723 . . . . 0.0 112.953 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.433 ' HG2' ' HA ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -61.11 -44.97 96.53 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.679 -0.408 . . . . 0.0 112.054 -177.669 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.4 OUTLIER -61.33 -12.99 15.97 Favored 'General case' 0 C--N 1.326 -0.453 0 C-N-CA 119.914 -0.714 . . . . 0.0 111.649 -178.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.92 -41.96 14.47 Favored 'General case' 0 N--CA 1.466 0.35 0 C-N-CA 120.338 -0.545 . . . . 0.0 110.591 179.354 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.601 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -82.53 -21.63 9.46 Favored 'Isoleucine or valine' 0 CA--C 1.528 0.125 0 CA-C-O 121.23 0.538 . . . . 0.0 109.591 179.527 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.601 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -95.93 14.56 23.11 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.824 178.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 3.0 t80 -88.79 10.53 20.65 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.695 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.851 0 CA-C-O 117.838 -1.077 . . . . 0.0 110.788 -179.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.462 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 14.9 Cg_exo . . . . . 0 N--CA 1.478 0.61 0 N-CA-C 109.503 -0.999 . . . . 0.0 109.503 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -13.07 1.69 Allowed 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.968 0.413 . . . . 0.0 110.525 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 7' ' ' LYS . . . -56.79 -31.17 64.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.76 -0.654 . . . . 0.0 112.091 -178.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.646 ' O ' HD12 ' A' ' 8' ' ' LEU . 0.0 OUTLIER -71.05 -31.63 68.12 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.154 -0.618 . . . . 0.0 111.348 -179.002 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 22.2 t30 -61.14 -46.55 90.09 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.957 -0.297 . . . . 0.0 110.914 -179.022 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.498 ' O ' ' HB2' ' A' ' 10' ' ' LYS . 17.5 mmtm -56.88 -33.76 67.19 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.853 -179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.621 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 3.3 mmtm -74.15 -39.26 63.39 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.416 -0.357 . . . . 0.0 110.96 -179.177 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.646 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.0 OUTLIER -82.64 -45.11 14.94 Favored 'General case' 0 C--N 1.327 -0.371 0 C-N-CA 120.742 -0.383 . . . . 0.0 110.847 -179.703 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 tp -56.06 -41.43 75.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.556 -179.247 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.57 ' O ' HD23 ' A' ' 14' ' ' LEU . 3.8 ttmm -58.88 -29.66 67.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.959 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.545 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.51 -48.24 7.44 Favored 'General case' 0 N--CA 1.443 -0.799 0 CA-C-O 121.08 0.467 . . . . 0.0 111.172 -178.569 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.33 -27.6 66.42 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.909 -178.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.632 ' O ' HD13 ' A' ' 16' ' ' ILE . 0.0 OUTLIER -62.87 -44.22 96.69 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -177.903 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.57 HD23 ' O ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -72.01 -23.38 61.39 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 119.759 -0.776 . . . . 0.0 111.49 -178.644 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.428 ' HD3' ' O ' ' A' ' 11' ' ' LYS . 4.8 mptp? -64.87 -41.35 95.73 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.24 -0.584 . . . . 0.0 110.651 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.632 HD13 ' O ' ' A' ' 13' ' ' ARG . 0.1 OUTLIER -92.85 -17.43 7.44 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.631 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.284 -179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.585 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -102.16 13.9 33.42 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.263 179.737 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -74.83 10.24 1.51 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 179.292 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.584 ' N ' ' CD ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.754 0 CA-C-N 115.036 -0.984 . . . . 0.0 110.629 -178.639 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 3.9 Cg_exo . . . . . 0 N--CA 1.479 0.634 0 N-CA-C 109.211 -1.111 . . . . 0.0 109.211 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -13.7 39.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.153 0.501 . . . . 0.0 110.046 179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -56.67 -35.01 67.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.006 -179.431 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.622 ' O ' HD12 ' A' ' 8' ' ' LEU . 11.1 ptt180 -55.59 -39.72 71.07 Favored 'General case' 0 C--N 1.326 -0.419 0 C-N-CA 120.593 -0.443 . . . . 0.0 110.382 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -61.84 -42.41 99.0 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 179.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -57.48 -35.84 70.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.221 179.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -67.95 -39.32 83.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.091 179.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.622 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.1 mt -78.43 -23.4 46.64 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.083 0.468 . . . . 0.0 109.902 179.59 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' ARG . 6.7 tp -56.11 -23.97 37.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.663 -0.698 . . . . 0.0 111.131 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -59.51 -36.87 76.91 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.444 -0.503 . . . . 0.0 109.701 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.544 ' N ' ' CD ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -77.54 -39.62 45.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 121.313 0.578 . . . . 0.0 109.738 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.577 ' O ' HG23 ' A' ' 16' ' ' ILE . 30.5 mt -73.5 -26.44 60.89 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.41 -0.814 . . . . 0.0 111.078 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.572 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -59.47 -41.69 90.35 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.336 -0.545 . . . . 0.0 110.697 -178.13 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.548 ' N ' ' HG3' ' A' ' 13' ' ' ARG . 0.7 OUTLIER -64.42 -18.7 64.97 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.237 -0.585 . . . . 0.0 109.854 179.153 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -87.51 -41.68 13.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.839 -179.385 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.837 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -94.38 -21.5 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.307 0 C-N-CA 120.879 -0.329 . . . . 0.0 110.441 -179.063 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.837 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -103.08 16.44 26.64 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.436 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -64.98 -17.67 64.62 Favored 'General case' 0 CA--C 1.512 -0.501 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.521 ' NZ ' ' O ' ' A' ' 16' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.843 0 CA-C-N 115.174 -0.921 . . . . 0.0 110.663 -179.126 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 35.0 Cg_exo . . . . . 0 N--CA 1.484 0.97 0 N-CA-C 109.906 -0.844 . . . . 0.0 109.906 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.05 -14.1 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.248 179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.81 -28.38 48.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.402 -179.686 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -58.01 -34.97 70.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.046 0.45 . . . . 0.0 109.81 179.344 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.38 -33.57 69.63 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.853 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -54.73 -32.39 59.66 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.532 -179.357 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.494 ' H ' ' HD3' ' A' ' 7' ' ' LYS . 0.4 OUTLIER -60.37 -41.47 93.81 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 179.662 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.7 mp -85.26 -43.0 14.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.153 179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 mt -55.38 -42.3 73.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.836 -179.077 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' O ' HD11 ' A' ' 14' ' ' LEU . 3.6 mtmt -59.07 -30.77 68.32 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.685 -0.406 . . . . 0.0 110.168 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.574 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -90.1 -37.66 14.08 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.427 -179.642 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 44.2 mt -71.51 -28.64 64.04 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.276 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.448 ' O ' HD13 ' A' ' 16' ' ' ILE . 0.1 OUTLIER -61.94 -42.12 98.74 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.297 -0.561 . . . . 0.0 111.484 -178.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.427 HD11 ' O ' ' A' ' 10' ' ' LYS . 1.0 OUTLIER -62.81 -17.09 60.71 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 119.834 -0.746 . . . . 0.0 110.303 179.868 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 5.1 mmtp -80.44 -40.58 26.06 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.648 -179.414 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.807 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -88.92 -28.32 5.27 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.488 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.57 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.807 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -80.76 12.73 2.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.952 -0.567 . . . . 0.0 109.917 179.198 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -81.13 -12.87 59.14 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.207 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.671 0 CA-C-O 118.024 -0.989 . . . . 0.0 110.394 -179.152 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo . . . . . 0 CA--C 1.527 0.166 0 N-CA-C 109.872 -0.857 . . . . 0.0 109.872 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.541 ' N ' ' SD ' ' A' ' 2' ' ' MET . 0.0 OUTLIER -55.41 -12.18 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.635 -179.937 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.51 -43.36 71.8 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.767 -0.373 . . . . 0.0 110.646 -178.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.7 ptt85 -58.72 -40.27 83.24 Favored 'General case' 0 C--N 1.323 -0.561 0 C-N-CA 120.352 -0.539 . . . . 0.0 110.273 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 39.3 t30 -61.68 -38.44 87.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.371 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.09 -33.04 66.89 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.395 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.576 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -73.0 -41.33 64.4 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.038 -179.722 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.19 -36.19 40.62 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.991 0.424 . . . . 0.0 110.545 179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.454 HD12 ' HA ' ' A' ' 9' ' ' LEU . 21.4 tp -56.22 -45.09 80.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.863 -179.384 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.5 mmmt -58.74 -27.94 65.4 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.921 0.391 . . . . 0.0 110.437 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.593 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.1 OUTLIER -89.47 -42.47 11.46 Favored 'General case' 0 N--CA 1.444 -0.737 0 CA-C-N 115.716 -0.674 . . . . 0.0 109.82 -179.814 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 37.1 mt -71.42 -24.7 62.09 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.334 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.517 ' HD2' ' HG ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -62.01 -37.89 86.58 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 119.897 -0.721 . . . . 0.0 110.77 -179.233 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.517 ' HG ' ' HD2' ' A' ' 13' ' ' ARG . 1.9 mp -61.44 -12.94 16.68 Favored 'General case' 0 C--N 1.333 -0.115 0 C-N-CA 120.511 -0.476 . . . . 0.0 111.021 179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.52 -38.63 17.03 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.319 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.66 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -100.74 -28.71 3.25 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.905 -178.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.66 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -84.61 10.31 11.44 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 -178.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.439 ' HB2' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -114.65 0.15 13.81 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 179.413 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.215 -0.752 0 CA-C-N 114.805 -1.089 . . . . 0.0 110.653 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.474 ' O ' ' CG ' ' A' ' 4' ' ' ARG . 4.9 Cg_exo . . . . . 0 N--CA 1.481 0.777 0 N-CA-C 109.523 -0.991 . . . . 0.0 109.523 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -74.89 -13.45 60.55 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.801 179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -66.36 -43.41 86.09 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.99 0.737 . . . . 0.0 112.99 -177.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.474 ' CG ' ' O ' ' A' ' 1' ' ' PRO . 3.8 ptt180 -53.42 -39.3 64.23 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.52 -178.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -62.26 -36.56 82.43 Favored 'General case' 0 C--N 1.321 -0.648 0 C-N-CA 120.717 -0.393 . . . . 0.0 110.864 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.444 ' HA ' ' HD3' ' A' ' 6' ' ' LYS . 7.1 mmtp -58.91 -35.42 73.04 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.83 -179.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 4.8 mptp? -66.52 -44.21 83.09 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.135 0.493 . . . . 0.0 109.711 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.6 mt -71.82 -30.56 65.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.179 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.83 -37.41 68.66 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.594 -179.471 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.38 -31.74 69.5 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -82.59 -48.04 11.42 Favored 'General case' 0 N--CA 1.45 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.917 179.664 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.758 ' O ' HG23 ' A' ' 16' ' ' ILE . 49.2 mt -54.31 -39.16 66.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.793 -179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.668 ' CD ' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -59.91 -30.96 69.39 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.632 -0.427 . . . . 0.0 110.056 -179.403 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.668 HD23 ' CD ' ' A' ' 13' ' ' ARG . 9.7 mt -73.34 -37.52 66.07 Favored 'General case' 0 C--N 1.325 -0.489 0 C-N-CA 120.292 -0.563 . . . . 0.0 110.362 179.524 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.14 -41.18 64.24 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 113.329 0.862 . . . . 0.0 113.329 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.758 HG23 ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER -72.13 -23.03 21.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.523 -179.744 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.749 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -93.39 -15.97 25.11 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.504 179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 51.8 t80 -62.36 -12.69 22.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.023 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.441 ' HD2' ' H ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.216 -0.67 0 CA-C-O 117.849 -1.072 . . . . 0.0 110.217 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 5.1 Cg_exo . . . . . 0 N--CA 1.478 0.596 0 N-CA-C 109.064 -1.168 . . . . 0.0 109.064 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -54.67 -17.62 3.61 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.589 -179.658 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . 0.437 ' O ' ' NZ ' ' A' ' 7' ' ' LYS . . . -57.17 -22.58 41.43 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.314 179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.592 ' O ' HD12 ' A' ' 8' ' ' LEU . 4.7 ptt180 -71.39 -39.48 71.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.044 0.449 . . . . 0.0 110.409 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -36.3 80.29 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.616 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.508 ' HA ' HD12 ' A' ' 9' ' ' LEU . 8.2 mmtm -56.88 -36.53 70.2 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.354 -179.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.598 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 4.5 mmtm -68.95 -31.18 69.87 Favored 'General case' 0 C--N 1.324 -0.52 0 C-N-CA 120.659 -0.417 . . . . 0.0 110.883 -178.768 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.592 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.2 mp -85.31 -29.01 24.89 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.936 179.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.626 HD23 HD12 ' A' ' 12' ' ' LEU . 14.8 mt -62.9 -31.53 72.6 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.964 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.614 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.8 mtmt -58.76 -41.17 85.91 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.061 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.57 ' N ' ' CD ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -55.64 -33.8 64.36 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-O 121.054 0.454 . . . . 0.0 109.868 -179.785 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.626 HD12 HD23 ' A' ' 9' ' ' LEU . 31.9 mt -73.52 -31.6 63.79 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.69 179.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.521 ' HG3' ' O ' ' A' ' 10' ' ' LYS . 3.1 ppt_? -62.26 -36.56 82.43 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.215 -0.594 . . . . 0.0 111.537 -178.1 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD12 ' O ' ' A' ' 10' ' ' LYS . 4.4 mp -60.8 -15.3 28.36 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.221 -0.592 . . . . 0.0 110.762 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.98 -40.14 16.15 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.441 179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.43 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.1 OUTLIER -90.45 -25.24 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.466 -179.408 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -81.31 -6.02 58.45 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.183 -179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 11.8 t80 -77.7 6.67 6.92 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.895 0.378 . . . . 0.0 110.695 -179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.414 ' HD2' ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.214 -0.812 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.18 179.701 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . 0.44 ' O ' ' HG3' ' A' ' 4' ' ' ARG . 24.2 Cg_exo . . . . . 0 N--CA 1.481 0.763 0 N-CA-C 109.357 -1.055 . . . . 0.0 109.357 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -14.13 7.15 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.881 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.24 -41.67 72.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.044 -179.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.44 ' HG3' ' O ' ' A' ' 1' ' ' PRO . 0.0 OUTLIER -74.59 -36.81 63.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.937 0.399 . . . . 0.0 110.302 179.816 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.713 ' HA ' HD12 ' A' ' 8' ' ' LEU . 25.4 m-20 -60.78 -36.07 78.04 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.707 -179.363 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.9 mmtp -56.2 -33.63 65.5 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.75 -179.518 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.487 ' N ' ' CD ' ' A' ' 7' ' ' LYS . 12.6 mptt -63.69 -44.62 93.17 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.713 HD12 ' HA ' ' A' ' 5' ' ' ASN . 0.8 OUTLIER -74.44 -32.22 62.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.565 -0.743 . . . . 0.0 109.143 179.148 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 9' ' ' LEU . 10.0 tp -56.31 -34.93 66.99 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.773 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 40.3 mtmt -59.34 -32.26 69.94 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 178.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HA ' HD21 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -90.02 -33.15 16.45 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.73 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' HB2' ' HA ' ' A' ' 9' ' ' LEU . 6.7 mt -73.42 -32.38 64.37 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.688 -179.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HD3' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -61.7 -43.58 98.58 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.606 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.511 HD21 ' HA ' ' A' ' 11' ' ' LYS . 0.6 OUTLIER -61.69 -12.86 18.33 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.026 -0.67 . . . . 0.0 111.599 -178.551 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.418 ' HE2' HD11 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -85.53 -40.12 16.67 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.356 179.246 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.701 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -89.99 -25.22 5.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.63 -179.263 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.701 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -86.42 13.52 8.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.743 179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -102.1 -0.7 32.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.724 0.297 . . . . 0.0 111.058 -179.51 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.821 0 CA-C-O 117.888 -1.053 . . . . 0.0 110.197 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PRO . . . . . . . . . . . . . 34.1 Cg_exo . . . . . 0 C--O 1.237 0.434 0 N-CA-C 109.682 -0.93 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.66 -15.05 2.56 Favored 'General case' 0 CA--C 1.519 -0.244 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 178.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -55.06 -21.52 12.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.34 -0.845 . . . . 0.0 109.521 179.296 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.649 ' O ' HD12 ' A' ' 8' ' ' LEU . 22.6 ptt180 -54.54 -30.9 55.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.549 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 9' ' ' LEU . 0.1 OUTLIER -62.01 -45.77 92.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.43 179.409 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' A' ' 5' ' ' ASN . 37.5 mmtm -61.39 -34.62 75.65 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.827 -179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.45 ' HG2' ' HA ' ' A' ' 4' ' ' ARG . 0.1 OUTLIER -64.09 -42.41 96.94 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.679 -0.489 . . . . 0.0 109.679 179.608 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.649 HD12 ' O ' ' A' ' 4' ' ' ARG . 1.1 mt -84.54 -25.8 28.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.111 179.347 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.503 ' N ' ' O ' ' A' ' 5' ' ' ASN . 17.9 tp -55.17 -32.98 62.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.77 -179.034 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 mtpp -58.08 -31.91 67.56 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.245 -0.582 . . . . 0.0 109.462 179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.556 ' N ' ' HD2' ' A' ' 11' ' ' LYS . 1.2 mptm? -90.9 -42.71 10.45 Favored 'General case' 0 N--CA 1.449 -0.49 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.096 179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 8' ' ' LEU . 33.2 mt -66.82 -29.33 69.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.37 -179.451 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.473 ' O ' ' N ' ' A' ' 17' ' ' ALA . 2.5 ppt_? -61.44 -40.53 94.79 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.639 -0.424 . . . . 0.0 111.707 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.413 ' HG ' ' NE ' ' A' ' 13' ' ' ARG . 1.3 mp -59.74 -19.1 48.02 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.864 -0.734 . . . . 0.0 111.167 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 15' ' ' LYS . 0.0 OUTLIER -86.38 -40.26 15.58 Favored 'General case' 0 C--N 1.321 -0.641 0 C-N-CA 120.405 -0.518 . . . . 0.0 111.147 -179.634 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.831 HD13 ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -98.84 -20.44 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.297 0 N-CA-C 111.923 0.342 . . . . 0.0 111.923 -178.736 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.831 ' N ' HD13 ' A' ' 16' ' ' ILE . . . -86.08 -4.76 59.24 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.04 -0.264 . . . . 0.0 111.332 -179.255 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.563 ' HB3' ' HD2' ' A' ' 19' ' ' LYS . 0.4 OUTLIER -110.66 -26.59 9.34 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.618 -0.512 . . . . 0.0 109.618 179.855 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HD2' ' HB3' ' A' ' 18' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--O 1.213 -0.822 0 CA-C-O 118.052 -0.975 . . . . 0.0 110.318 179.442 . . . . . . . . 2 2 . 1 stop_ save_