data_2ld0_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2ld0 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.351 0.596 . . . . 0.0 110.113 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 5' ' ' GLU . 2.6 pp -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.518 -0.738 . . . . 0.0 110.69 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.419 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -60.82 -38.08 84.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.023 . . . . 0.0 109.197 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -13.6 45.93 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.048 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.479 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -99.68 -26.82 13.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.269 -0.894 . . . . 0.0 109.807 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.432 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.3 ttt -87.16 -44.35 11.56 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.467 -0.771 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.93 -25.45 11.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 109.997 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.26 -27.67 53.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.24 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 11.4 m-30 -82.39 -3.7 56.01 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.078 -1.014 . . . . 0.0 110.318 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.04 -38.85 0.87 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.843 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 111.225 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.281 0.563 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.5 mt -79.5 -54.08 6.26 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.476 -0.765 . . . . 0.0 109.906 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -35.53 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.31 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.49 -13.84 54.14 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.959 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -96.89 -26.71 14.98 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.423 -0.798 . . . . 0.0 109.76 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.441 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 3.0 tpp -86.26 -58.97 2.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -20.96 17.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.317 -0.864 . . . . 0.0 110.36 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.47 -48.0 44.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 110.055 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.6 m-30 -62.5 -16.61 56.61 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.23 -0.918 . . . . 0.0 110.594 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.83 -41.17 4.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 110.69 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.427 -0.795 . . . . 0.0 111.53 -178.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.21 0.529 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.92 -55.78 5.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.461 -0.774 . . . . 0.0 110.103 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.89 -34.92 68.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.185 -0.947 . . . . 0.0 109.207 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -15.47 57.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -93.34 -28.2 16.33 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.506 -0.746 . . . . 0.0 109.549 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.462 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.7 ttm -86.94 -52.89 5.2 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.602 -0.686 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -54.0 -23.57 13.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.4 -0.813 . . . . 0.0 110.166 179.71 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.8 -47.81 57.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.208 -0.932 . . . . 0.0 110.119 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 10.5 m-30 -60.02 -17.82 41.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 0.0 110.64 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -43.27 3.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.293 -0.88 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 9.8 t . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.536 -0.727 . . . . 0.0 111.27 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.261 0.553 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.37 -54.73 8.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.962 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.27 69.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.272 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -63.23 -14.69 52.08 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.021 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -95.66 -27.28 15.38 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.426 -0.796 . . . . 0.0 109.811 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.461 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.5 tpt -86.48 -57.83 2.85 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.469 -0.77 . . . . 0.0 110.09 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -24.39 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 110.208 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 -39.38 67.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.8 m-30 -71.96 -11.12 60.63 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.174 -0.954 . . . . 0.0 110.495 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -116.06 -42.55 3.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.282 -0.886 . . . . 0.0 110.482 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.453 -0.779 . . . . 0.0 111.065 -179.07 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.252 0.548 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mt -105.46 -56.57 2.16 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.78 -34.6 67.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 109.2 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -63.31 -15.51 57.52 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -93.65 -27.71 16.41 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.531 -0.731 . . . . 0.0 109.558 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.456 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 18.8 ttt -87.2 -55.96 3.58 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.495 -0.753 . . . . 0.0 110.188 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -53.06 -24.38 9.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.399 -0.813 . . . . 0.0 110.281 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.42 -47.31 61.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 0.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.46 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.2 m-30 -60.82 -17.1 47.65 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.173 -0.955 . . . . 0.0 110.67 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.88 -42.83 3.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.638 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 14.2 p . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.476 -0.765 . . . . 0.0 111.359 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.204 0.526 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -54.02 35.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.513 -0.742 . . . . 0.0 109.981 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -37.52 72.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 109.237 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -13.11 51.54 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.758 -0.777 . . . . 0.0 109.036 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -102.2 -29.27 11.81 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.426 -0.796 . . . . 0.0 109.65 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.437 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 ttt -83.12 -38.77 21.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.458 -0.776 . . . . 0.0 109.964 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -51.99 -26.81 11.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.942 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.82 -27.61 57.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -0.892 . . . . 0.0 110.257 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.3 m-30 -79.39 -6.36 56.66 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.151 -0.968 . . . . 0.0 109.633 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -125.76 -40.8 2.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.465 -0.772 . . . . 0.0 110.344 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 15.7 p . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 0.0 110.663 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.199 0.523 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.0 mt -73.15 -55.96 5.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 110.018 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -34.39 67.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -64.22 -14.77 57.59 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -94.74 -29.29 14.85 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 121.493 -0.755 . . . . 0.0 109.507 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.462 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.6 ttm -83.65 -57.8 3.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.568 -0.708 . . . . 0.0 109.765 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -23.85 17.46 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.384 -0.823 . . . . 0.0 109.993 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.15 84.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.364 -0.835 . . . . 0.0 109.904 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 10.4 m-30 -69.41 -18.71 63.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.265 -0.897 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -45.17 5.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.0 110.52 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 110.935 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.247 0.546 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.01 -52.23 10.66 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.371 -0.831 . . . . 0.0 110.101 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.16 -38.76 74.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.037 -1.039 . . . . 0.0 109.216 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -14.02 36.48 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -107.59 -33.3 7.35 Favored 'General case' 0 C--N 1.314 -0.959 0 O-C-N 121.485 -0.759 . . . . 0.0 109.285 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.504 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 tpp -67.29 -39.98 86.06 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.448 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -49.67 -27.38 4.65 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.978 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 -18.08 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.441 -0.787 . . . . 0.0 110.626 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 2.3 m-85 -93.87 1.47 56.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.623 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.03 -39.44 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.579 -0.701 . . . . 0.0 110.45 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.414 -0.804 . . . . 0.0 111.229 -179.126 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 121.194 0.521 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.33 -54.62 30.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.758 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.59 -35.29 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.063 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -13.38 58.89 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.469 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -101.15 -27.3 13.31 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.419 -0.801 . . . . 0.0 109.612 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.426 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.68 -62.94 1.53 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.484 -0.76 . . . . 0.0 110.061 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.28 -23.61 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.334 -0.854 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.04 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.249 -0.907 . . . . 0.0 110.192 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.469 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 11.2 m-30 -68.98 -20.97 64.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.84 -46.45 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.315 -0.866 . . . . 0.0 110.576 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.388 -0.82 . . . . 0.0 110.961 -179.343 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.32 0.581 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.49 -54.26 15.1 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.381 -0.824 . . . . 0.0 110.003 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.29 -35.76 70.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.0 109.308 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -12.71 57.19 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -101.48 -27.47 13.11 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 121.414 -0.804 . . . . 0.0 109.77 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.432 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.7 ttt -83.35 -48.63 10.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -51.78 -25.93 8.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 110.129 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.01 -35.74 69.53 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.432 -0.792 . . . . 0.0 110.08 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 11.9 m-30 -75.3 -9.4 58.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.947 . . . . 0.0 110.462 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.62 -40.77 2.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.261 -0.899 . . . . 0.0 110.758 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 111.334 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.258 0.551 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -80.88 -52.64 7.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.578 -0.701 . . . . 0.0 110.098 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.67 -38.05 71.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 0.0 109.387 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -12.34 48.9 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.056 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -104.97 -28.77 10.88 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.417 -0.802 . . . . 0.0 109.78 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.437 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.3 -49.38 13.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.428 -0.795 . . . . 0.0 110.186 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -27.59 8.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.375 -0.828 . . . . 0.0 110.082 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.64 77.2 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.421 -0.799 . . . . 0.0 109.928 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.494 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 12.5 m-30 -77.12 -9.55 58.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.31 -0.869 . . . . 0.0 110.356 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -114.54 -42.01 3.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.277 -0.889 . . . . 0.0 110.839 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.258 -0.902 . . . . 0.0 111.407 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.378 0.608 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 4.6 mm? -83.56 -52.55 6.37 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.454 -0.779 . . . . 0.0 109.751 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -35.56 70.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.221 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -13.67 53.68 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.931 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -99.03 -27.72 13.72 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.42 -0.8 . . . . 0.0 109.664 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.462 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 13.0 ttp -82.58 -54.9 4.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.527 -0.733 . . . . 0.0 109.917 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -27.67 14.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.454 -0.779 . . . . 0.0 109.985 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.14 94.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.511 -0.743 . . . . 0.0 109.869 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 5.3 m-30 -78.63 -14.8 59.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.387 -0.821 . . . . 0.0 110.122 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.43 -44.97 6.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.395 -0.815 . . . . 0.0 110.816 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 O-C-N 121.139 -0.976 . . . . 0.0 111.266 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.235 0.541 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 5' ' ' GLU . 2.5 pp -60.64 -48.36 82.14 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.365 -0.834 . . . . 0.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 2.6 tt0 -62.67 -35.47 79.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 0.0 108.901 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.33 -13.91 59.61 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -97.52 -24.45 15.56 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.483 -0.761 . . . . 0.0 109.728 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.413 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.77 -56.75 3.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.489 -0.757 . . . . 0.0 109.707 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.69 12.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.721 . . . . 0.0 109.777 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.11 83.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 110.04 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 11.4 m-30 -74.14 -14.21 60.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.385 -0.822 . . . . 0.0 110.467 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.09 -43.28 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.241 -0.912 . . . . 0.0 110.462 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.404 -0.81 . . . . 0.0 110.601 -179.616 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 m . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.281 0.562 . . . . 0.0 110.219 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -54.3 5.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.423 -0.798 . . . . 0.0 110.161 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.75 -36.36 69.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.068 -1.02 . . . . 0.0 109.422 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -64.82 -13.23 55.05 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.019 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -99.79 -27.01 13.84 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.433 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -83.82 -54.96 4.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 110.185 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -22.16 14.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.394 -0.816 . . . . 0.0 110.274 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.2 19.08 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.233 -0.917 . . . . 0.0 110.084 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 10.4 m-30 -56.8 -21.44 28.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.164 -0.96 . . . . 0.0 110.61 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.99 -46.65 4.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 110.255 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 110.845 -179.229 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.433 0.635 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -49.05 7.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.466 -0.771 . . . . 0.0 109.922 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.76 -38.54 75.58 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -63.69 -13.84 46.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.49 -0.756 . . . . 0.0 109.161 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -100.71 -27.69 13.23 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.445 -0.784 . . . . 0.0 109.959 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.441 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.3 ttp -81.84 -61.33 1.95 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 110.238 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -25.96 11.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.44 -0.787 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.65 98.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.881 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 8.3 m-30 -76.33 -15.33 60.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.345 -0.847 . . . . 0.0 110.17 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -101.17 -44.78 5.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.912 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.22 -0.925 . . . . 0.0 110.917 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 121.212 0.529 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.3 mt -83.78 -55.12 4.43 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.367 -0.833 . . . . 0.0 110.082 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.53 -36.05 68.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.941 . . . . 0.0 109.268 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -63.18 -14.58 50.6 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.688 -0.805 . . . . 0.0 108.917 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -95.29 -25.55 16.29 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 121.45 -0.781 . . . . 0.0 109.517 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.431 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -90.76 -47.88 7.37 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.531 -0.731 . . . . 0.0 110.127 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.67 -25.56 11.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.337 -0.852 . . . . 0.0 110.178 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.53 -38.25 65.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.358 -0.839 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.7 m-30 -69.13 -11.54 60.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.056 -1.027 . . . . 0.0 110.602 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.19 -40.78 2.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.243 -0.91 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 5.2 m . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.457 -0.777 . . . . 0.0 111.407 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.9 p . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 121.355 0.598 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 12.9 mt -70.43 -51.88 26.25 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.503 -0.748 . . . . 0.0 110.132 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -37.66 72.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.095 -1.003 . . . . 0.0 109.351 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -12.91 55.74 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.181 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.45 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -102.53 -24.7 13.78 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.467 -0.77 . . . . 0.0 110.074 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 ttt -84.39 -55.48 4.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.343 -0.848 . . . . 0.0 110.059 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -24.89 7.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.434 -0.791 . . . . 0.0 109.925 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.37 84.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 110.137 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 11.8 m-30 -73.23 -15.12 61.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.408 -0.808 . . . . 0.0 110.485 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 -43.31 4.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 0.0 110.45 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.487 1.392 0 O-C-N 121.358 -0.839 . . . . 0.0 110.94 -179.642 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.284 0.564 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.21 -52.71 6.04 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.491 -0.756 . . . . 0.0 109.963 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -37.47 70.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.136 -0.978 . . . . 0.0 109.321 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.53 -14.14 38.66 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.399 -0.813 . . . . 0.0 109.0 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -97.93 -26.78 14.54 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.373 -0.829 . . . . 0.0 109.735 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.457 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.83 -43.77 10.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.407 -0.808 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.21 -24.66 7.56 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.361 -0.837 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.71 -45.28 65.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 110.141 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CE2' ' O ' ' A' ' 7' ' ' LEU . 12.4 m-85 -60.24 -19.72 55.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.927 . . . . 0.0 110.541 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -110.59 -42.34 4.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.0 110.604 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 8.1 t . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.488 -0.757 . . . . 0.0 111.029 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.298 0.57 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.403 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.7 -51.52 16.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.939 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -37.79 73.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.311 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -13.22 48.7 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.922 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -104.4 -28.34 11.41 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.407 -0.808 . . . . 0.0 109.661 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.415 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 9.1 tpt -76.28 -51.01 12.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.439 -0.788 . . . . 0.0 110.043 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -53.3 -22.4 7.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.452 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -56.45 7.43 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.233 -0.917 . . . . 0.0 110.019 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 10.6 m-30 -53.87 -20.85 6.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.98 -43.51 5.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.894 . . . . 0.0 110.674 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.0 111.411 -178.827 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 3.7 mm? -79.72 -55.42 5.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.817 . . . . 0.0 110.31 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.26 -35.06 69.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.061 -1.024 . . . . 0.0 109.318 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -12.02 55.08 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -106.05 -25.0 12.25 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.474 -0.766 . . . . 0.0 110.134 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ttm -81.64 -53.05 6.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.312 -0.868 . . . . 0.0 110.455 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -52.96 -23.9 8.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.84 77.96 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . 0.494 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 12.0 m-30 -70.81 -15.23 62.64 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.0 110.473 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.97 -43.42 4.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.208 -0.933 . . . . 0.0 110.743 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.83 . . . . 0.0 111.419 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.182 0.515 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.33 91.42 1.9 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.354 -0.841 . . . . 0.0 110.234 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.6 t -167.9 40.62 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.425 -0.797 . . . . 0.0 110.113 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' CD1' ' N ' ' A' ' 5' ' ' GLU . 2.6 pp -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.518 -0.738 . . . . 0.0 110.69 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.419 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -60.82 -38.08 84.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.023 . . . . 0.0 109.197 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -13.6 45.93 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.048 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.479 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -99.68 -26.82 13.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.269 -0.894 . . . . 0.0 109.807 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.432 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.3 ttt -87.16 -44.35 11.56 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.467 -0.771 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.93 -25.45 11.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 109.997 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -77.26 -27.67 53.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.24 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 11.4 m-30 -82.39 -3.7 56.01 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.078 -1.014 . . . . 0.0 110.318 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.04 -38.85 0.87 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.843 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -87.01 -22.19 25.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 111.225 -178.835 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 27.8 tp -57.11 -67.85 0.28 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.247 -0.908 . . . . 0.0 110.322 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.412 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 20.1 tttm -123.52 -28.68 3.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 110.595 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -14.22 54.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.309 -0.869 . . . . 0.0 110.93 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.416 ' CD1' ' N ' ' A' ' 18' ' ' NH2 . 28.1 p90 -53.97 -29.92 44.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.112 -0.992 . . . . 0.0 110.561 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . 0.416 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.246 0.546 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.82 132.73 3.24 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.367 -0.833 . . . . 0.0 110.218 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 22.6 m -107.14 43.38 1.17 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.0 110.256 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 20.5 mt -79.5 -54.08 6.26 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.476 -0.765 . . . . 0.0 109.906 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -35.53 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.31 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.49 -13.84 54.14 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.959 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -96.89 -26.71 14.98 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.423 -0.798 . . . . 0.0 109.76 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.441 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 3.0 tpp -86.26 -58.97 2.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -20.96 17.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.317 -0.864 . . . . 0.0 110.36 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -72.47 -48.0 44.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 110.055 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.452 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.6 m-30 -62.5 -16.61 56.61 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.23 -0.918 . . . . 0.0 110.594 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.83 -41.17 4.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 110.69 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 3.6 t -91.37 -19.5 22.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.427 -0.795 . . . . 0.0 111.53 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -91.9 32.56 1.12 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.016 -1.052 . . . . 0.0 110.555 -179.747 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -64.35 -46.24 84.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.192 -0.943 . . . . 0.0 109.97 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.86 -33.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.996 0.903 . . . . 0.0 108.629 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 4.0 p90 -71.77 -178.4 2.27 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.17 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.19 0.519 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.71 -160.37 0.97 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.383 -0.823 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t -160.33 44.53 0.21 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.241 -0.912 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mp -75.92 -55.78 5.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.461 -0.774 . . . . 0.0 110.103 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.89 -34.92 68.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.185 -0.947 . . . . 0.0 109.207 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -15.47 57.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -93.34 -28.2 16.33 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.506 -0.746 . . . . 0.0 109.549 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.462 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.7 ttm -86.94 -52.89 5.2 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.602 -0.686 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -54.0 -23.57 13.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.4 -0.813 . . . . 0.0 110.166 179.71 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -70.8 -47.81 57.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.208 -0.932 . . . . 0.0 110.119 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.443 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 10.5 m-30 -60.02 -17.82 41.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 0.0 110.64 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -43.27 3.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.293 -0.88 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 9.8 t -78.17 -28.88 48.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.536 -0.727 . . . . 0.0 111.27 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 4.9 tp -53.69 -67.35 0.26 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.227 -0.921 . . . . 0.0 110.538 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 1.2 tmtt? -139.58 -29.04 0.75 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.244 -0.91 . . . . 0.0 111.023 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 2.9 m -59.33 -15.72 17.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.155 -0.966 . . . . 0.0 111.105 -179.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 24.1 p90 -52.69 167.87 0.13 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.184 -0.948 . . . . 0.0 110.57 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.836 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ttt . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.2 0.524 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.74 145.86 32.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.391 -0.818 . . . . 0.0 110.3 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t -124.82 44.29 2.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.37 -54.73 8.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.962 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.27 69.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.272 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -63.23 -14.69 52.08 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.021 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.461 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -95.66 -27.28 15.38 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.426 -0.796 . . . . 0.0 109.811 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.461 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.5 tpt -86.48 -57.83 2.85 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.469 -0.77 . . . . 0.0 110.09 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -24.39 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 110.208 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -72.54 -39.38 67.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.467 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.8 m-30 -71.96 -11.12 60.63 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.174 -0.954 . . . . 0.0 110.495 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.0 mm-40 -116.06 -42.55 3.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.282 -0.886 . . . . 0.0 110.482 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.3 m -84.38 -28.46 26.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.453 -0.779 . . . . 0.0 111.065 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 5.2 tp -87.65 -22.15 24.87 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.391 -0.818 . . . . 0.0 110.974 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' CZ ' ' A' ' 17' ' ' PHE . 28.4 tttp -118.03 -30.96 5.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.137 -0.977 . . . . 0.0 110.89 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.522 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -101.25 -30.44 11.52 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.128 -0.982 . . . . 0.0 110.239 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.5 OUTLIER 24.57 60.96 0.05 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 122.052 -0.405 . . . . 0.0 111.704 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ttt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.253 0.549 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.69 -43.53 0.05 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.364 -0.835 . . . . 0.0 110.237 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m -95.84 43.72 1.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.385 -0.822 . . . . 0.0 110.299 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mt -105.46 -56.57 2.16 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.78 -34.6 67.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 109.2 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -63.31 -15.51 57.52 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.456 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -93.65 -27.71 16.41 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.531 -0.731 . . . . 0.0 109.558 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.456 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 18.8 ttt -87.2 -55.96 3.58 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.495 -0.753 . . . . 0.0 110.188 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -53.06 -24.38 9.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.399 -0.813 . . . . 0.0 110.281 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -70.42 -47.31 61.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 0.0 110.277 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.46 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.2 m-30 -60.82 -17.1 47.65 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.173 -0.955 . . . . 0.0 110.67 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.88 -42.83 3.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.638 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 14.2 p -78.83 -27.77 44.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.476 -0.765 . . . . 0.0 111.359 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -51.39 -69.19 0.12 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.292 -0.88 . . . . 0.0 110.459 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 12.8 tttm -127.27 -28.7 2.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.244 -0.91 . . . . 0.0 110.634 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -62.8 -14.59 47.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.917 -179.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 30.5 p90 -53.56 -30.78 43.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.218 -0.926 . . . . 0.0 110.536 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . 0.407 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.8 -1.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.217 0.532 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.03 91.52 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.414 -0.803 . . . . 0.0 110.623 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -119.49 45.18 2.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.28 -0.887 . . . . 0.0 109.96 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -65.27 -54.02 35.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.513 -0.742 . . . . 0.0 109.981 179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -37.52 72.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 109.237 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -13.11 51.54 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.758 -0.777 . . . . 0.0 109.036 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.534 HD12 ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -102.2 -29.27 11.81 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.426 -0.796 . . . . 0.0 109.65 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.437 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 ttt -83.12 -38.77 21.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.458 -0.776 . . . . 0.0 109.964 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -51.99 -26.81 11.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.942 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.557 ' O ' ' HB2' ' A' ' 14' ' ' LEU . . . -75.82 -27.61 57.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -0.892 . . . . 0.0 110.257 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.534 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.3 m-30 -79.39 -6.36 56.66 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.151 -0.968 . . . . 0.0 109.633 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -125.76 -40.8 2.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.465 -0.772 . . . . 0.0 110.344 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 15.7 p -75.11 -28.73 60.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 0.0 110.663 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 10' ' ' ALA . 1.2 mm? -46.56 -70.23 0.1 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.556 -0.715 . . . . 0.0 110.749 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.417 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 1.8 tttm -121.67 -29.21 4.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.33 -0.856 . . . . 0.0 110.669 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -12.82 51.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.257 -0.902 . . . . 0.0 110.957 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.417 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 30.1 p90 -49.68 151.88 1.6 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.286 -0.883 . . . . 0.0 110.72 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.192 0.52 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.86 126.9 6.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.419 -0.8 . . . . 0.0 110.159 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t -154.25 44.53 0.55 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.352 -0.842 . . . . 0.0 110.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 21.0 mt -73.15 -55.96 5.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 110.018 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -34.39 67.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -64.22 -14.77 57.59 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -94.74 -29.29 14.85 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 121.493 -0.755 . . . . 0.0 109.507 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.462 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.6 ttm -83.65 -57.8 3.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.568 -0.708 . . . . 0.0 109.765 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -23.85 17.46 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.384 -0.823 . . . . 0.0 109.993 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -67.12 -42.15 84.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.364 -0.835 . . . . 0.0 109.904 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.431 ' CZ ' HD11 ' A' ' 7' ' ' LEU . 10.4 m-30 -69.41 -18.71 63.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.265 -0.897 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -45.17 5.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.0 110.52 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.78 -27.86 22.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 110.935 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -100.43 33.86 2.57 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.374 -0.829 . . . . 0.0 110.396 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 16' ' ' SER . 7.6 tttm -69.99 -33.71 72.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.386 -0.821 . . . . 0.0 109.947 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 169.76 -28.18 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.831 0.824 . . . . 0.0 108.963 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -88.04 45.05 1.24 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.9 -0.5 . . . . 0.0 110.211 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.119 0.485 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.9 142.83 49.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.191 -0.943 . . . . 0.0 110.189 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 p -125.63 45.2 2.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.391 -0.818 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.7 mt -76.01 -52.23 10.66 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.371 -0.831 . . . . 0.0 110.101 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.16 -38.76 74.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.037 -1.039 . . . . 0.0 109.216 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -14.02 36.48 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.504 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -107.59 -33.3 7.35 Favored 'General case' 0 C--N 1.314 -0.959 0 O-C-N 121.485 -0.759 . . . . 0.0 109.285 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.504 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 tpp -67.29 -39.98 86.06 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.448 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -49.67 -27.38 4.65 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.978 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -80.54 -18.08 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.441 -0.787 . . . . 0.0 110.626 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.567 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 2.3 m-85 -93.87 1.47 56.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.623 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.03 -39.44 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.579 -0.701 . . . . 0.0 110.45 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -91.59 -20.83 21.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.414 -0.804 . . . . 0.0 111.229 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 27.3 tp -64.37 -11.86 36.79 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.311 -0.868 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' A' ' 16' ' ' SER . 1.4 tptt -72.42 -66.54 0.64 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.101 -0.999 . . . . 0.0 109.928 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 166.55 -16.68 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.688 -0.632 . . . . 0.0 110.334 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' CE2' ' CB ' ' A' ' 15' ' ' LYS . 1.6 m-85 -52.5 128.37 25.61 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.305 -0.872 . . . . 0.0 110.283 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.16 0.505 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.2 -163.9 1.89 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 0.0 110.11 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p 43.7 52.06 6.41 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.713 -0.617 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.8 mt -64.33 -54.62 30.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.758 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.59 -35.29 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.063 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -13.38 58.89 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.469 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -101.15 -27.3 13.31 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.419 -0.801 . . . . 0.0 109.612 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.426 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.68 -62.94 1.53 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.484 -0.76 . . . . 0.0 110.061 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.28 -23.61 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.334 -0.854 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.04 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.249 -0.907 . . . . 0.0 110.192 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.469 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 11.2 m-30 -68.98 -20.97 64.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.84 -46.45 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.315 -0.866 . . . . 0.0 110.576 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -87.53 -33.03 19.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.388 -0.82 . . . . 0.0 110.961 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 46.71 1.02 Allowed 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.407 -0.808 . . . . 0.0 110.347 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.46 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 7.6 tttt -79.22 -50.65 10.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.274 -0.891 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.89 -11.98 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.551 -0.718 . . . . 0.0 110.404 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.46 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 1.8 m-85 -43.09 102.25 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.505 -0.747 . . . . 0.0 110.66 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.088 0.47 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.19 178.21 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.357 -0.84 . . . . 0.0 110.502 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t -169.96 44.24 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.817 . . . . 0.0 110.214 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -69.49 -54.26 15.1 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.381 -0.824 . . . . 0.0 110.003 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.29 -35.76 70.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.0 109.308 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -12.71 57.19 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -101.48 -27.47 13.11 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 121.414 -0.804 . . . . 0.0 109.77 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.432 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.7 ttt -83.35 -48.63 10.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -51.78 -25.93 8.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 110.129 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -72.01 -35.74 69.53 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.432 -0.792 . . . . 0.0 110.08 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 11.9 m-30 -75.3 -9.4 58.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.947 . . . . 0.0 110.462 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.62 -40.77 2.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.261 -0.899 . . . . 0.0 110.758 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.86 -23.21 20.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 111.334 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 4.4 tp -88.32 17.71 5.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 0.0 110.844 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 6.8 tptt -62.21 -55.08 32.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.0 109.991 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 173.62 -39.9 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.48 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 1.6 p90 -71.42 173.15 8.27 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.133 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 mtm . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.22 0.533 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.85 -68.55 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.337 -0.852 . . . . 0.0 110.231 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m 52.5 43.08 31.42 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.437 -0.789 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.402 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 1.0 OUTLIER -80.88 -52.64 7.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.578 -0.701 . . . . 0.0 110.098 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.67 -38.05 71.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 0.0 109.387 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -12.34 48.9 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.056 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -104.97 -28.77 10.88 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.417 -0.802 . . . . 0.0 109.78 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.437 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.3 -49.38 13.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.428 -0.795 . . . . 0.0 110.186 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -27.59 8.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.375 -0.828 . . . . 0.0 110.082 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.424 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -68.84 -35.64 77.2 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.421 -0.799 . . . . 0.0 109.928 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.494 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 12.5 m-30 -77.12 -9.55 58.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.31 -0.869 . . . . 0.0 110.356 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -114.54 -42.01 3.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.277 -0.889 . . . . 0.0 110.839 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.12 -24.13 17.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.258 -0.902 . . . . 0.0 111.407 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -90.2 23.44 2.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.946 . . . . 0.0 110.707 -179.814 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -61.81 -54.67 39.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.157 -0.965 . . . . 0.0 109.925 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 168.51 -13.47 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.304 0.573 . . . . 0.0 109.889 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 1.8 m-85 -50.95 -52.93 37.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.424 -0.798 . . . . 0.0 110.402 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.805 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.209 0.528 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.19 123.12 43.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.357 -0.839 . . . . 0.0 110.236 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t -136.71 42.14 2.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.405 -0.809 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 4' ' ' LEU . 4.6 mm? -83.56 -52.55 6.37 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.454 -0.779 . . . . 0.0 109.751 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -35.56 70.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.221 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -13.67 53.68 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.931 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.462 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -99.03 -27.72 13.72 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.42 -0.8 . . . . 0.0 109.664 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.462 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 13.0 ttp -82.58 -54.9 4.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.527 -0.733 . . . . 0.0 109.917 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -27.67 14.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.454 -0.779 . . . . 0.0 109.985 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.14 94.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.511 -0.743 . . . . 0.0 109.869 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 5.3 m-30 -78.63 -14.8 59.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.387 -0.821 . . . . 0.0 110.122 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' O ' ' CZ ' ' A' ' 17' ' ' PHE . 2.5 tt0 -98.43 -44.97 6.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.395 -0.815 . . . . 0.0 110.816 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.3 -18.46 13.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.139 -0.976 . . . . 0.0 111.266 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 4.5 tp -109.68 29.39 7.63 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.254 -0.904 . . . . 0.0 110.665 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.445 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 4.7 tmtm? -74.41 -50.58 17.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.372 -0.83 . . . . 0.0 110.133 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.48 -29.71 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.584 0.707 . . . . 0.0 109.177 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.445 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -73.82 56.84 0.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.779 -0.575 . . . . 0.0 110.511 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.729 -1.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.159 0.504 . . . . 0.0 110.129 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.73 51.33 0.84 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.371 -0.83 . . . . 0.0 110.232 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 p -106.75 45.24 0.99 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.392 -0.817 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 5' ' ' GLU . 2.5 pp -60.64 -48.36 82.14 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.365 -0.834 . . . . 0.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 2.6 tt0 -62.67 -35.47 79.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 0.0 108.901 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.33 -13.91 59.61 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.413 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -97.52 -24.45 15.56 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.483 -0.761 . . . . 0.0 109.728 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.413 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.77 -56.75 3.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.489 -0.757 . . . . 0.0 109.707 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.69 12.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.721 . . . . 0.0 109.777 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.11 83.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 110.04 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 11.4 m-30 -74.14 -14.21 60.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.385 -0.822 . . . . 0.0 110.467 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.09 -43.28 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.241 -0.912 . . . . 0.0 110.462 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 t -90.01 -30.86 17.48 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.404 -0.81 . . . . 0.0 110.601 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -98.49 47.2 0.99 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.472 -0.768 . . . . 0.0 110.225 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 6.8 tttm -83.07 -56.71 3.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.82 . . . . 0.0 110.542 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.89 -11.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.479 -0.763 . . . . 0.0 110.548 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 2.3 m-85 -39.14 107.74 0.07 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.585 -0.697 . . . . 0.0 110.921 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.202 0.525 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.67 136.64 6.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.179 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 12.7 m -121.0 44.27 2.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 110.219 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.34 -54.3 5.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.423 -0.798 . . . . 0.0 110.161 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.75 -36.36 69.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.068 -1.02 . . . . 0.0 109.422 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -64.82 -13.23 55.05 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.019 178.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD12 ' CZ ' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -99.79 -27.01 13.84 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.433 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -83.82 -54.96 4.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 110.185 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -22.16 14.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.394 -0.816 . . . . 0.0 110.274 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -69.89 -53.2 19.08 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.233 -0.917 . . . . 0.0 110.084 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.454 ' CD1' ' N ' ' A' ' 11' ' ' PHE . 10.4 m-30 -56.8 -21.44 28.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.164 -0.96 . . . . 0.0 110.61 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.99 -46.65 4.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 110.255 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 m -75.09 -34.81 61.78 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 110.845 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 7.8 tt -60.17 -19.92 56.16 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.458 -0.776 . . . . 0.0 110.383 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -67.56 -60.66 2.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.89 . . . . 0.0 109.946 179.727 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 169.2 -26.91 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.682 0.753 . . . . 0.0 109.422 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 2.7 p90 -98.32 -167.77 1.55 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.783 -0.573 . . . . 0.0 110.109 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mmt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.117 0.484 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.14 65.62 0.24 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.1 m -123.81 41.38 3.5 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.325 -0.859 . . . . 0.0 110.161 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -88.23 -49.05 7.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.466 -0.771 . . . . 0.0 109.922 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.76 -38.54 75.58 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.8 ttpt -63.69 -13.84 46.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.49 -0.756 . . . . 0.0 109.161 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.441 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.2 OUTLIER -100.71 -27.69 13.23 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.445 -0.784 . . . . 0.0 109.959 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.441 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.3 ttp -81.84 -61.33 1.95 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 110.238 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -25.96 11.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.44 -0.787 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.65 98.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.881 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.446 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 8.3 m-30 -76.33 -15.33 60.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.345 -0.847 . . . . 0.0 110.17 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -101.17 -44.78 5.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.912 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.17 -29.42 13.6 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.22 -0.925 . . . . 0.0 110.917 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -96.38 29.95 2.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.367 -0.833 . . . . 0.0 110.589 -179.64 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 2.6 tmtt? -69.27 -42.91 74.92 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.326 -0.859 . . . . 0.0 109.918 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.68 -31.04 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.858 0.837 . . . . 0.0 108.898 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -80.58 179.84 7.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.894 -0.503 . . . . 0.0 110.136 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.869 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.234 0.54 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.49 -65.07 1.23 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 110.173 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 52.4 44.26 30.06 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.374 -0.829 . . . . 0.0 110.486 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.3 mt -83.78 -55.12 4.43 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.367 -0.833 . . . . 0.0 110.082 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.53 -36.05 68.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.941 . . . . 0.0 109.268 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -63.18 -14.58 50.6 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.688 -0.805 . . . . 0.0 108.917 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.431 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -95.29 -25.55 16.29 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 121.45 -0.781 . . . . 0.0 109.517 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.431 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -90.76 -47.88 7.37 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.531 -0.731 . . . . 0.0 110.127 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.67 -25.56 11.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.337 -0.852 . . . . 0.0 110.178 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -73.53 -38.25 65.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.358 -0.839 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.471 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.7 m-30 -69.13 -11.54 60.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.056 -1.027 . . . . 0.0 110.602 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.19 -40.78 2.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.243 -0.91 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 5.2 m -80.88 -25.46 37.57 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.457 -0.777 . . . . 0.0 111.407 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 56.7 tp -51.59 -69.68 0.11 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.295 -0.878 . . . . 0.0 110.335 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 7.6 tttt -133.05 -29.15 1.47 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.248 -0.908 . . . . 0.0 110.709 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -15.28 23.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 0.0 110.961 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.401 ' O ' ' CD1' ' A' ' 17' ' ' PHE . 30.0 p90 -50.55 139.82 15.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.126 -0.984 . . . . 0.0 110.635 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mtm . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.14 0.495 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.16 -47.23 0.07 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.386 -0.821 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.9 p 44.19 43.44 5.77 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.592 -0.692 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 12.9 mt -70.43 -51.88 26.25 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.503 -0.748 . . . . 0.0 110.132 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -37.66 72.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.095 -1.003 . . . . 0.0 109.351 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -12.91 55.74 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.181 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.45 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -102.53 -24.7 13.78 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.467 -0.77 . . . . 0.0 110.074 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 ttt -84.39 -55.48 4.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.343 -0.848 . . . . 0.0 110.059 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -24.89 7.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.434 -0.791 . . . . 0.0 109.925 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.37 84.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 110.137 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.45 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 11.8 m-30 -73.23 -15.12 61.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.408 -0.808 . . . . 0.0 110.485 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 -43.31 4.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 0.0 110.45 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -99.82 -21.96 15.53 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.358 -0.839 . . . . 0.0 110.94 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.47 41.09 2.23 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.325 -0.859 . . . . 0.0 110.511 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.442 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -73.51 -43.14 60.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.286 -0.884 . . . . 0.0 110.078 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.18 -12.78 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.753 -0.592 . . . . 0.0 110.089 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.442 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 2.1 m-85 -46.1 -64.12 0.82 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.543 -0.723 . . . . 0.0 110.527 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mtp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.158 0.504 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.81 54.93 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.358 -0.839 . . . . 0.0 110.344 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t -123.63 41.67 3.42 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.353 -0.842 . . . . 0.0 110.241 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 5.2 mp -84.21 -52.71 6.04 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.491 -0.756 . . . . 0.0 109.963 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -37.47 70.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.136 -0.978 . . . . 0.0 109.321 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.53 -14.14 38.66 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.399 -0.813 . . . . 0.0 109.0 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.457 ' HG ' ' N ' ' A' ' 8' ' ' MET . 0.3 OUTLIER -97.93 -26.78 14.54 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.373 -0.829 . . . . 0.0 109.735 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.457 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.83 -43.77 10.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.407 -0.808 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.21 -24.66 7.56 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.361 -0.837 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -70.71 -45.28 65.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 110.141 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.403 ' CE2' ' O ' ' A' ' 7' ' ' LEU . 12.4 m-85 -60.24 -19.72 55.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.927 . . . . 0.0 110.541 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -110.59 -42.34 4.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.0 110.604 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 8.1 t -76.66 -28.63 56.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.488 -0.757 . . . . 0.0 111.029 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 14.4 tp -54.39 -66.87 0.32 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.278 -0.889 . . . . 0.0 110.508 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -127.38 -31.03 2.56 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.271 -0.893 . . . . 0.0 110.96 -179.631 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.86 -14.94 25.23 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 111.086 -179.543 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.438 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 24.9 p90 -52.96 145.59 12.55 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.101 -0.999 . . . . 0.0 110.588 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.81 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.306 0.574 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.96 93.19 8.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 110.279 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 p -106.4 43.96 1.1 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.327 -0.858 . . . . 0.0 110.137 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' HA ' ' CD2' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.7 -51.52 16.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.939 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -37.79 73.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.311 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -13.22 48.7 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.922 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.473 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -104.4 -28.34 11.41 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.407 -0.808 . . . . 0.0 109.661 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.415 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 9.1 tpt -76.28 -51.01 12.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.439 -0.788 . . . . 0.0 110.043 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -53.3 -22.4 7.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.452 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -69.39 -56.45 7.43 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.233 -0.917 . . . . 0.0 110.019 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.473 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 10.6 m-30 -53.87 -20.85 6.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.9 mt-10 -104.98 -43.51 5.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.894 . . . . 0.0 110.674 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -83.67 -27.52 29.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.0 111.411 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.455 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 3.3 tm? -56.62 -27.5 58.42 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.168 -0.957 . . . . 0.0 109.866 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 1.9 mmpt? -68.33 -63.18 1.11 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.334 -0.854 . . . . 0.0 109.828 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 2.9 t 169.55 -30.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.729 0.776 . . . . 0.0 109.03 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 4.2 p90 -91.87 149.15 21.72 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.929 -0.482 . . . . 0.0 110.321 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptm . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.183 0.516 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.18 22.73 1.53 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t -171.19 45.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.178 -0.951 . . . . 0.0 110.139 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 3.7 mm? -79.72 -55.42 5.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.817 . . . . 0.0 110.31 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.26 -35.06 69.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.061 -1.024 . . . . 0.0 109.318 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -12.02 55.08 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.494 ' CD1' ' CE2' ' A' ' 11' ' ' PHE . 0.2 OUTLIER -106.05 -25.0 12.25 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.474 -0.766 . . . . 0.0 110.134 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ttm -81.64 -53.05 6.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.312 -0.868 . . . . 0.0 110.455 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -52.96 -23.9 8.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -69.15 -40.84 77.96 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . 0.494 ' CE2' ' CD1' ' A' ' 7' ' ' LEU . 12.0 m-30 -70.81 -15.23 62.64 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.0 110.473 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.97 -43.42 4.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.208 -0.933 . . . . 0.0 110.743 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -23.65 20.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.83 . . . . 0.0 111.419 -178.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -94.83 36.69 1.17 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.196 -0.94 . . . . 0.0 110.954 -179.488 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.433 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 7.7 tttm -72.44 -41.21 66.41 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.163 -0.961 . . . . 0.0 109.902 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.43 -31.93 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.854 0.835 . . . . 0.0 108.756 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PHE . . . . . 0.433 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -77.54 160.38 28.65 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.919 -0.488 . . . . 0.0 110.128 179.613 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.819 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.401 ' HG1' ' HB3' ' A' ' 6' ' ' LYS . 7.6 t . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.351 0.596 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 1.021 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.6 pp -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.518 -0.738 . . . . 0.0 110.69 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.69 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -60.82 -38.08 84.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.023 . . . . 0.0 109.197 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' HG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -63.83 -13.6 45.93 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.048 178.236 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 1.021 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.68 -26.82 13.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.269 -0.894 . . . . 0.0 109.807 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.44 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.3 ttt -87.16 -44.35 11.56 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.467 -0.771 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.93 -25.45 11.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 109.997 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.26 -27.67 53.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.24 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.4 m-30 -82.39 -3.7 56.01 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.078 -1.014 . . . . 0.0 110.318 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.04 -38.85 0.87 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.843 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 111.225 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 3' ' ' THR . 22.6 m . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.281 0.563 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.939 ' HA ' HD23 ' A' ' 7' ' ' LEU . 20.5 mt -79.5 -54.08 6.26 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.476 -0.765 . . . . 0.0 109.906 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -35.53 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.31 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.49 -13.84 54.14 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.959 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.939 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -96.89 -26.71 14.98 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.423 -0.798 . . . . 0.0 109.76 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.45 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 3.0 tpp -86.26 -58.97 2.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -20.96 17.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.317 -0.864 . . . . 0.0 110.36 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.47 -48.0 44.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 110.055 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.727 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.6 m-30 -62.5 -16.61 56.61 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.23 -0.918 . . . . 0.0 110.594 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.83 -41.17 4.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 110.69 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.427 -0.795 . . . . 0.0 111.53 -178.896 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.21 0.529 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.83 ' HA ' HD23 ' A' ' 7' ' ' LEU . 10.8 mp -75.92 -55.78 5.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.461 -0.774 . . . . 0.0 110.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.89 -34.92 68.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.185 -0.947 . . . . 0.0 109.207 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -15.47 57.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.83 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -93.34 -28.2 16.33 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.506 -0.746 . . . . 0.0 109.549 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.471 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.7 ttm -86.94 -52.89 5.2 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.602 -0.686 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -54.0 -23.57 13.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.4 -0.813 . . . . 0.0 110.166 179.71 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.8 -47.81 57.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.208 -0.932 . . . . 0.0 110.119 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.5 m-30 -60.02 -17.82 41.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 0.0 110.64 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -43.27 3.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.293 -0.88 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 9.8 t . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.536 -0.727 . . . . 0.0 111.27 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.261 0.553 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.907 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -72.37 -54.73 8.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.962 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.27 69.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.272 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -63.23 -14.69 52.08 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.021 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.907 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -95.66 -27.28 15.38 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.426 -0.796 . . . . 0.0 109.811 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.47 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.5 tpt -86.48 -57.83 2.85 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.469 -0.77 . . . . 0.0 110.09 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -24.39 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 110.208 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 -39.38 67.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.745 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.8 m-30 -71.96 -11.12 60.63 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.174 -0.954 . . . . 0.0 110.495 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -116.06 -42.55 3.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.282 -0.886 . . . . 0.0 110.482 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.453 -0.779 . . . . 0.0 111.065 -179.07 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.252 0.548 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.831 ' HA ' HD23 ' A' ' 7' ' ' LEU . 7.3 mt -105.46 -56.57 2.16 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.78 -34.6 67.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 109.2 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -63.31 -15.51 57.52 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.831 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -93.65 -27.71 16.41 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.531 -0.731 . . . . 0.0 109.558 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.466 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 18.8 ttt -87.2 -55.96 3.58 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.495 -0.753 . . . . 0.0 110.188 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -53.06 -24.38 9.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.399 -0.813 . . . . 0.0 110.281 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.42 -47.31 61.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 0.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.2 m-30 -60.82 -17.1 47.65 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.173 -0.955 . . . . 0.0 110.67 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.88 -42.83 3.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.638 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 14.2 p . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.476 -0.765 . . . . 0.0 111.359 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.204 0.526 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.948 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -65.27 -54.02 35.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.513 -0.742 . . . . 0.0 109.981 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -37.52 72.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 109.237 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -13.11 51.54 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.758 -0.777 . . . . 0.0 109.036 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.948 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -102.2 -29.27 11.81 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.426 -0.796 . . . . 0.0 109.65 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.446 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 ttt -83.12 -38.77 21.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.458 -0.776 . . . . 0.0 109.964 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -51.99 -26.81 11.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.942 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.82 -27.61 57.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -0.892 . . . . 0.0 110.257 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.3 m-30 -79.39 -6.36 56.66 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.151 -0.968 . . . . 0.0 109.633 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -125.76 -40.8 2.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.465 -0.772 . . . . 0.0 110.344 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 15.7 p . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 0.0 110.663 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.199 0.523 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.838 ' HA ' HD23 ' A' ' 7' ' ' LEU . 21.0 mt -73.15 -55.96 5.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 110.018 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -34.39 67.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -64.22 -14.77 57.59 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.838 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -94.74 -29.29 14.85 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 121.493 -0.755 . . . . 0.0 109.507 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.472 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.6 ttm -83.65 -57.8 3.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.568 -0.708 . . . . 0.0 109.765 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -23.85 17.46 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.384 -0.823 . . . . 0.0 109.993 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.15 84.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.364 -0.835 . . . . 0.0 109.904 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.692 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.4 m-30 -69.41 -18.71 63.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.265 -0.897 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -45.17 5.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.0 110.52 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 110.935 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.247 0.546 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.886 ' HA ' HD23 ' A' ' 7' ' ' LEU . 5.7 mt -76.01 -52.23 10.66 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.371 -0.831 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.16 -38.76 74.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.037 -1.039 . . . . 0.0 109.216 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -14.02 36.48 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.886 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -107.59 -33.3 7.35 Favored 'General case' 0 C--N 1.314 -0.959 0 O-C-N 121.485 -0.759 . . . . 0.0 109.285 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.513 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 tpp -67.29 -39.98 86.06 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.448 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -49.67 -27.38 4.65 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.978 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 -18.08 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.441 -0.787 . . . . 0.0 110.626 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.706 ' CE1' HD12 ' A' ' 7' ' ' LEU . 2.3 m-85 -93.87 1.47 56.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.623 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.03 -39.44 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.579 -0.701 . . . . 0.0 110.45 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.414 -0.804 . . . . 0.0 111.229 -179.126 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 121.194 0.521 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.987 ' HA ' HD23 ' A' ' 7' ' ' LEU . 55.8 mt -64.33 -54.62 30.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.758 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.59 -35.29 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.063 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -13.38 58.89 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.987 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -101.15 -27.3 13.31 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.419 -0.801 . . . . 0.0 109.612 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.433 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.68 -62.94 1.53 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.484 -0.76 . . . . 0.0 110.061 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.28 -23.61 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.334 -0.854 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.04 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.249 -0.907 . . . . 0.0 110.192 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.688 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.2 m-30 -68.98 -20.97 64.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.84 -46.45 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.315 -0.866 . . . . 0.0 110.576 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.388 -0.82 . . . . 0.0 110.961 -179.343 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.32 0.581 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.98 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -69.49 -54.26 15.1 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.381 -0.824 . . . . 0.0 110.003 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.29 -35.76 70.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.0 109.308 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -12.71 57.19 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -101.48 -27.47 13.11 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 121.414 -0.804 . . . . 0.0 109.77 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.438 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.7 ttt -83.35 -48.63 10.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -51.78 -25.93 8.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 110.129 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.01 -35.74 69.53 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.432 -0.792 . . . . 0.0 110.08 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.614 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.9 m-30 -75.3 -9.4 58.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.947 . . . . 0.0 110.462 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.62 -40.77 2.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.261 -0.899 . . . . 0.0 110.758 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 111.334 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.258 0.551 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.967 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -80.88 -52.64 7.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.578 -0.701 . . . . 0.0 110.098 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.67 -38.05 71.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 0.0 109.387 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -12.34 48.9 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.056 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.97 -28.77 10.88 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.417 -0.802 . . . . 0.0 109.78 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.446 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.3 -49.38 13.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.428 -0.795 . . . . 0.0 110.186 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -27.59 8.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.375 -0.828 . . . . 0.0 110.082 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.64 77.2 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.421 -0.799 . . . . 0.0 109.928 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.5 m-30 -77.12 -9.55 58.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.31 -0.869 . . . . 0.0 110.356 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -114.54 -42.01 3.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.277 -0.889 . . . . 0.0 110.839 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.258 -0.902 . . . . 0.0 111.407 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.378 0.608 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.885 ' HA ' HD23 ' A' ' 7' ' ' LEU . 4.6 mm? -83.56 -52.55 6.37 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.454 -0.779 . . . . 0.0 109.751 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -35.56 70.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.221 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -13.67 53.68 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.931 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.885 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.03 -27.72 13.72 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.42 -0.8 . . . . 0.0 109.664 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.471 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 13.0 ttp -82.58 -54.9 4.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.527 -0.733 . . . . 0.0 109.917 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -27.67 14.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.454 -0.779 . . . . 0.0 109.985 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.14 94.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.511 -0.743 . . . . 0.0 109.869 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.651 ' CE2' HD12 ' A' ' 7' ' ' LEU . 5.3 m-30 -78.63 -14.8 59.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.387 -0.821 . . . . 0.0 110.122 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.43 -44.97 6.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.395 -0.815 . . . . 0.0 110.816 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 O-C-N 121.139 -0.976 . . . . 0.0 111.266 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.235 0.541 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.955 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.5 pp -60.64 -48.36 82.14 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.365 -0.834 . . . . 0.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.695 ' N ' HD12 ' A' ' 4' ' ' LEU . 2.6 tt0 -62.67 -35.47 79.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 0.0 108.901 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.33 -13.91 59.61 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.955 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -97.52 -24.45 15.56 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.483 -0.761 . . . . 0.0 109.728 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.422 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.77 -56.75 3.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.489 -0.757 . . . . 0.0 109.707 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.69 12.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.721 . . . . 0.0 109.777 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.11 83.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 110.04 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.712 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.4 m-30 -74.14 -14.21 60.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.385 -0.822 . . . . 0.0 110.467 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.09 -43.28 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.241 -0.912 . . . . 0.0 110.462 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.404 -0.81 . . . . 0.0 110.601 -179.616 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.44 HG23 ' HD2' ' A' ' 6' ' ' LYS . 12.7 m . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.281 0.562 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.93 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -81.34 -54.3 5.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.423 -0.798 . . . . 0.0 110.161 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.75 -36.36 69.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.068 -1.02 . . . . 0.0 109.422 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HD2' HG23 ' A' ' 3' ' ' THR . 11.0 mttm -64.82 -13.23 55.05 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.019 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.93 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.79 -27.01 13.84 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.444 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -83.82 -54.96 4.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 110.185 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -22.16 14.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.394 -0.816 . . . . 0.0 110.274 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.2 19.08 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.233 -0.917 . . . . 0.0 110.084 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.4 m-30 -56.8 -21.44 28.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.164 -0.96 . . . . 0.0 110.61 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.99 -46.65 4.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 110.255 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 110.845 -179.229 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.436 HG23 ' HE2' ' A' ' 6' ' ' LYS . 5.1 m . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.433 0.635 . . . . 0.0 110.161 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.991 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -88.23 -49.05 7.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.466 -0.771 . . . . 0.0 109.922 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.76 -38.54 75.58 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HE2' HG23 ' A' ' 3' ' ' THR . 1.8 ttpt -63.69 -13.84 46.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.49 -0.756 . . . . 0.0 109.161 178.383 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.991 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -100.71 -27.69 13.23 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.445 -0.784 . . . . 0.0 109.959 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.45 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.3 ttp -81.84 -61.33 1.95 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 110.238 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -25.96 11.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.44 -0.787 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.65 98.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.881 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 7' ' ' LEU . 8.3 m-30 -76.33 -15.33 60.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.345 -0.847 . . . . 0.0 110.17 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -101.17 -44.78 5.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.912 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.22 -0.925 . . . . 0.0 110.917 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 121.212 0.529 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.887 ' HA ' HD23 ' A' ' 7' ' ' LEU . 13.3 mt -83.78 -55.12 4.43 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.367 -0.833 . . . . 0.0 110.082 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.53 -36.05 68.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.941 . . . . 0.0 109.268 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -63.18 -14.58 50.6 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.688 -0.805 . . . . 0.0 108.917 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -95.29 -25.55 16.29 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 121.45 -0.781 . . . . 0.0 109.517 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.437 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -90.76 -47.88 7.37 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.531 -0.731 . . . . 0.0 110.127 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.67 -25.56 11.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.337 -0.852 . . . . 0.0 110.178 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.53 -38.25 65.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.358 -0.839 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.675 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.7 m-30 -69.13 -11.54 60.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.056 -1.027 . . . . 0.0 110.602 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.19 -40.78 2.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.243 -0.91 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 5.2 m . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.457 -0.777 . . . . 0.0 111.407 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.9 p . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 121.355 0.598 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.998 ' HA ' HD23 ' A' ' 7' ' ' LEU . 12.9 mt -70.43 -51.88 26.25 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.503 -0.748 . . . . 0.0 110.132 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -37.66 72.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.095 -1.003 . . . . 0.0 109.351 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -12.91 55.74 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.181 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -102.53 -24.7 13.78 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.467 -0.77 . . . . 0.0 110.074 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 ttt -84.39 -55.48 4.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.343 -0.848 . . . . 0.0 110.059 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -24.89 7.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.434 -0.791 . . . . 0.0 109.925 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.37 84.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 110.137 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.8 m-30 -73.23 -15.12 61.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.408 -0.808 . . . . 0.0 110.485 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 -43.31 4.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 0.0 110.45 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.487 1.392 0 O-C-N 121.358 -0.839 . . . . 0.0 110.94 -179.642 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.284 0.564 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.951 ' HA ' HD23 ' A' ' 7' ' ' LEU . 5.2 mp -84.21 -52.71 6.04 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.491 -0.756 . . . . 0.0 109.963 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -37.47 70.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.136 -0.978 . . . . 0.0 109.321 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.53 -14.14 38.66 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.399 -0.813 . . . . 0.0 109.0 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.951 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -97.93 -26.78 14.54 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.373 -0.829 . . . . 0.0 109.735 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.467 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.83 -43.77 10.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.407 -0.808 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.21 -24.66 7.56 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.361 -0.837 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.71 -45.28 65.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 110.141 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.4 m-85 -60.24 -19.72 55.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.927 . . . . 0.0 110.541 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -110.59 -42.34 4.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.0 110.604 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 8.1 t . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.488 -0.757 . . . . 0.0 111.029 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.298 0.57 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.936 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.7 -51.52 16.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.939 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -37.79 73.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.311 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -13.22 48.7 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.922 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.936 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.4 -28.34 11.41 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.407 -0.808 . . . . 0.0 109.661 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.424 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 9.1 tpt -76.28 -51.01 12.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.439 -0.788 . . . . 0.0 110.043 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -53.3 -22.4 7.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.452 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -56.45 7.43 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.233 -0.917 . . . . 0.0 110.019 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.482 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.6 m-30 -53.87 -20.85 6.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.98 -43.51 5.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.894 . . . . 0.0 110.674 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.0 111.411 -178.827 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.906 ' HA ' HD23 ' A' ' 7' ' ' LEU . 3.7 mm? -79.72 -55.42 5.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.817 . . . . 0.0 110.31 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.26 -35.06 69.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.061 -1.024 . . . . 0.0 109.318 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -12.02 55.08 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.906 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -106.05 -25.0 12.25 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.474 -0.766 . . . . 0.0 110.134 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ttm -81.64 -53.05 6.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.312 -0.868 . . . . 0.0 110.455 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -52.96 -23.9 8.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.84 77.96 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.0 m-30 -70.81 -15.23 62.64 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.0 110.473 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.97 -43.42 4.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.208 -0.933 . . . . 0.0 110.743 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.83 . . . . 0.0 111.419 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.182 0.515 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.33 91.42 1.9 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.354 -0.841 . . . . 0.0 110.234 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.401 ' HG1' ' HB3' ' A' ' 6' ' ' LYS . 7.6 t -167.9 40.62 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.425 -0.797 . . . . 0.0 110.113 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 1.021 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.6 pp -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.518 -0.738 . . . . 0.0 110.69 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.69 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -60.82 -38.08 84.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.023 . . . . 0.0 109.197 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' HG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -63.83 -13.6 45.93 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.048 178.236 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 1.021 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.68 -26.82 13.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.269 -0.894 . . . . 0.0 109.807 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.44 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.3 ttt -87.16 -44.35 11.56 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.467 -0.771 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.93 -25.45 11.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 109.997 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -77.26 -27.67 53.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.24 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.4 m-30 -82.39 -3.7 56.01 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.078 -1.014 . . . . 0.0 110.318 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.04 -38.85 0.87 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.843 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -87.01 -22.19 25.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 111.225 -178.835 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 27.8 tp -57.11 -67.85 0.28 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.247 -0.908 . . . . 0.0 110.322 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 20.1 tttm -123.52 -28.68 3.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 110.595 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -14.22 54.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.309 -0.869 . . . . 0.0 110.93 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 28.1 p90 -53.97 -29.92 44.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.112 -0.992 . . . . 0.0 110.561 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.416 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.246 0.546 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.82 132.73 3.24 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.367 -0.833 . . . . 0.0 110.218 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 3' ' ' THR . 22.6 m -107.14 43.38 1.17 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.0 110.256 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.939 ' HA ' HD23 ' A' ' 7' ' ' LEU . 20.5 mt -79.5 -54.08 6.26 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.476 -0.765 . . . . 0.0 109.906 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -35.53 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.31 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.49 -13.84 54.14 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.959 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.939 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -96.89 -26.71 14.98 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.423 -0.798 . . . . 0.0 109.76 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.45 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 3.0 tpp -86.26 -58.97 2.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -20.96 17.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.317 -0.864 . . . . 0.0 110.36 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -72.47 -48.0 44.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 110.055 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.727 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.6 m-30 -62.5 -16.61 56.61 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.23 -0.918 . . . . 0.0 110.594 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.83 -41.17 4.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 110.69 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 3.6 t -91.37 -19.5 22.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.427 -0.795 . . . . 0.0 111.53 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -91.9 32.56 1.12 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.016 -1.052 . . . . 0.0 110.555 -179.747 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -64.35 -46.24 84.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.192 -0.943 . . . . 0.0 109.97 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.86 -33.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.996 0.903 . . . . 0.0 108.629 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 4.0 p90 -71.77 -178.4 2.27 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.17 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.19 0.519 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.71 -160.37 0.97 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.383 -0.823 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t -160.33 44.53 0.21 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.241 -0.912 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.83 ' HA ' HD23 ' A' ' 7' ' ' LEU . 10.8 mp -75.92 -55.78 5.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.461 -0.774 . . . . 0.0 110.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.89 -34.92 68.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.185 -0.947 . . . . 0.0 109.207 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -15.47 57.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.83 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -93.34 -28.2 16.33 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.506 -0.746 . . . . 0.0 109.549 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.471 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.7 ttm -86.94 -52.89 5.2 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.602 -0.686 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -54.0 -23.57 13.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.4 -0.813 . . . . 0.0 110.166 179.71 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -70.8 -47.81 57.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.208 -0.932 . . . . 0.0 110.119 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.5 m-30 -60.02 -17.82 41.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 0.0 110.64 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -110.57 -43.27 3.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.293 -0.88 . . . . 0.0 110.592 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 9.8 t -78.17 -28.88 48.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.536 -0.727 . . . . 0.0 111.27 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 4.9 tp -53.69 -67.35 0.26 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.227 -0.921 . . . . 0.0 110.538 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 1.2 tmtt? -139.58 -29.04 0.75 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.244 -0.91 . . . . 0.0 111.023 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 12' ' ' GLU . 2.9 m -59.33 -15.72 17.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.155 -0.966 . . . . 0.0 111.105 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 24.1 p90 -52.69 167.87 0.13 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.184 -0.948 . . . . 0.0 110.57 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.836 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ttt . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.2 0.524 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.74 145.86 32.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.391 -0.818 . . . . 0.0 110.3 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t -124.82 44.29 2.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.907 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -72.37 -54.73 8.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.962 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.27 69.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.272 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -63.23 -14.69 52.08 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.021 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.907 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -95.66 -27.28 15.38 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.426 -0.796 . . . . 0.0 109.811 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.47 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.5 tpt -86.48 -57.83 2.85 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.469 -0.77 . . . . 0.0 110.09 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -24.39 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 110.208 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -72.54 -39.38 67.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.745 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.8 m-30 -71.96 -11.12 60.63 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.174 -0.954 . . . . 0.0 110.495 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.0 mm-40 -116.06 -42.55 3.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.282 -0.886 . . . . 0.0 110.482 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.3 m -84.38 -28.46 26.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.453 -0.779 . . . . 0.0 111.065 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 5.2 tp -87.65 -22.15 24.87 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.391 -0.818 . . . . 0.0 110.974 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' CZ ' ' A' ' 17' ' ' PHE . 28.4 tttp -118.03 -30.96 5.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.137 -0.977 . . . . 0.0 110.89 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.522 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -101.25 -30.44 11.52 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.128 -0.982 . . . . 0.0 110.239 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.5 OUTLIER 24.57 60.96 0.05 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 122.052 -0.405 . . . . 0.0 111.704 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ttt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.253 0.549 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.69 -43.53 0.05 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.364 -0.835 . . . . 0.0 110.237 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m -95.84 43.72 1.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.385 -0.822 . . . . 0.0 110.299 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.831 ' HA ' HD23 ' A' ' 7' ' ' LEU . 7.3 mt -105.46 -56.57 2.16 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.78 -34.6 67.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 109.2 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -63.31 -15.51 57.52 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.831 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -93.65 -27.71 16.41 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.531 -0.731 . . . . 0.0 109.558 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.466 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 18.8 ttt -87.2 -55.96 3.58 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.495 -0.753 . . . . 0.0 110.188 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -53.06 -24.38 9.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.399 -0.813 . . . . 0.0 110.281 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -70.42 -47.31 61.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 0.0 110.277 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.2 m-30 -60.82 -17.1 47.65 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.173 -0.955 . . . . 0.0 110.67 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 3.6 mm-40 -111.88 -42.83 3.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.638 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 14.2 p -78.83 -27.77 44.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.476 -0.765 . . . . 0.0 111.359 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -51.39 -69.19 0.12 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.292 -0.88 . . . . 0.0 110.459 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 12.8 tttm -127.27 -28.7 2.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.244 -0.91 . . . . 0.0 110.634 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -62.8 -14.59 47.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.917 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 30.5 p90 -53.56 -30.78 43.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.218 -0.926 . . . . 0.0 110.536 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . 0.407 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.8 -1.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.217 0.532 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.03 91.52 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.414 -0.803 . . . . 0.0 110.623 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -119.49 45.18 2.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.28 -0.887 . . . . 0.0 109.96 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.948 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -65.27 -54.02 35.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.513 -0.742 . . . . 0.0 109.981 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -37.52 72.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 109.237 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -13.11 51.54 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.758 -0.777 . . . . 0.0 109.036 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.948 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -102.2 -29.27 11.81 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.426 -0.796 . . . . 0.0 109.65 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.446 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 ttt -83.12 -38.77 21.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.458 -0.776 . . . . 0.0 109.964 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -51.99 -26.81 11.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.942 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.742 ' O ' HD23 ' A' ' 14' ' ' LEU . . . -75.82 -27.61 57.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -0.892 . . . . 0.0 110.257 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.3 m-30 -79.39 -6.36 56.66 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.151 -0.968 . . . . 0.0 109.633 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -125.76 -40.8 2.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.465 -0.772 . . . . 0.0 110.344 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 15.7 p -75.11 -28.73 60.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 0.0 110.663 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 10' ' ' ALA . 1.2 mm? -46.56 -70.23 0.1 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.556 -0.715 . . . . 0.0 110.749 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 1.8 tttm -121.67 -29.21 4.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.33 -0.856 . . . . 0.0 110.669 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -12.82 51.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.257 -0.902 . . . . 0.0 110.957 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 30.1 p90 -49.68 151.88 1.6 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.286 -0.883 . . . . 0.0 110.72 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.192 0.52 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.86 126.9 6.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.419 -0.8 . . . . 0.0 110.159 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t -154.25 44.53 0.55 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.352 -0.842 . . . . 0.0 110.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.838 ' HA ' HD23 ' A' ' 7' ' ' LEU . 21.0 mt -73.15 -55.96 5.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 110.018 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -34.39 67.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -64.22 -14.77 57.59 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.838 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -94.74 -29.29 14.85 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 121.493 -0.755 . . . . 0.0 109.507 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.472 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.6 ttm -83.65 -57.8 3.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.568 -0.708 . . . . 0.0 109.765 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -23.85 17.46 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.384 -0.823 . . . . 0.0 109.993 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -67.12 -42.15 84.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.364 -0.835 . . . . 0.0 109.904 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.692 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.4 m-30 -69.41 -18.71 63.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.265 -0.897 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -45.17 5.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.0 110.52 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.78 -27.86 22.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 110.935 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -100.43 33.86 2.57 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.374 -0.829 . . . . 0.0 110.396 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 16' ' ' SER . 7.6 tttm -69.99 -33.71 72.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.386 -0.821 . . . . 0.0 109.947 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 169.76 -28.18 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.831 0.824 . . . . 0.0 108.963 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -88.04 45.05 1.24 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.9 -0.5 . . . . 0.0 110.211 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.119 0.485 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.9 142.83 49.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.191 -0.943 . . . . 0.0 110.189 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 p -125.63 45.2 2.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.391 -0.818 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.886 ' HA ' HD23 ' A' ' 7' ' ' LEU . 5.7 mt -76.01 -52.23 10.66 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.371 -0.831 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.16 -38.76 74.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.037 -1.039 . . . . 0.0 109.216 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -14.02 36.48 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.886 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -107.59 -33.3 7.35 Favored 'General case' 0 C--N 1.314 -0.959 0 O-C-N 121.485 -0.759 . . . . 0.0 109.285 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.513 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 tpp -67.29 -39.98 86.06 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.448 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -49.67 -27.38 4.65 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.978 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -80.54 -18.08 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.441 -0.787 . . . . 0.0 110.626 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.706 ' CE1' HD12 ' A' ' 7' ' ' LEU . 2.3 m-85 -93.87 1.47 56.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.623 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.03 -39.44 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.579 -0.701 . . . . 0.0 110.45 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -91.59 -20.83 21.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.414 -0.804 . . . . 0.0 111.229 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 27.3 tp -64.37 -11.86 36.79 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.311 -0.868 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' A' ' 16' ' ' SER . 1.4 tptt -72.42 -66.54 0.64 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.101 -0.999 . . . . 0.0 109.928 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 166.55 -16.68 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.688 -0.632 . . . . 0.0 110.334 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' CE2' ' CB ' ' A' ' 15' ' ' LYS . 1.6 m-85 -52.5 128.37 25.61 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.305 -0.872 . . . . 0.0 110.283 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.16 0.505 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.2 -163.9 1.89 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 0.0 110.11 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p 43.7 52.06 6.41 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.713 -0.617 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.987 ' HA ' HD23 ' A' ' 7' ' ' LEU . 55.8 mt -64.33 -54.62 30.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.758 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.59 -35.29 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.063 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -13.38 58.89 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.987 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -101.15 -27.3 13.31 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.419 -0.801 . . . . 0.0 109.612 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.433 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.68 -62.94 1.53 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.484 -0.76 . . . . 0.0 110.061 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.28 -23.61 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.334 -0.854 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.04 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.249 -0.907 . . . . 0.0 110.192 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.688 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.2 m-30 -68.98 -20.97 64.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.84 -46.45 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.315 -0.866 . . . . 0.0 110.576 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -87.53 -33.03 19.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.388 -0.82 . . . . 0.0 110.961 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 46.71 1.02 Allowed 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.407 -0.808 . . . . 0.0 110.347 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 7.6 tttt -79.22 -50.65 10.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.274 -0.891 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.89 -11.98 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.551 -0.718 . . . . 0.0 110.404 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 15' ' ' LYS . 1.8 m-85 -43.09 102.25 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.505 -0.747 . . . . 0.0 110.66 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.088 0.47 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.19 178.21 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.357 -0.84 . . . . 0.0 110.502 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t -169.96 44.24 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.817 . . . . 0.0 110.214 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.98 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -69.49 -54.26 15.1 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.381 -0.824 . . . . 0.0 110.003 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.29 -35.76 70.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.0 109.308 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -12.71 57.19 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -101.48 -27.47 13.11 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 121.414 -0.804 . . . . 0.0 109.77 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.438 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.7 ttt -83.35 -48.63 10.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -51.78 -25.93 8.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 110.129 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -72.01 -35.74 69.53 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.432 -0.792 . . . . 0.0 110.08 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.614 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.9 m-30 -75.3 -9.4 58.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.947 . . . . 0.0 110.462 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.62 -40.77 2.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.261 -0.899 . . . . 0.0 110.758 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.86 -23.21 20.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 111.334 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 4.4 tp -88.32 17.71 5.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 0.0 110.844 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 6.8 tptt -62.21 -55.08 32.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.0 109.991 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 173.62 -39.9 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.6 p90 -71.42 173.15 8.27 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.133 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 mtm . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.22 0.533 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.85 -68.55 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.337 -0.852 . . . . 0.0 110.231 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m 52.5 43.08 31.42 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.437 -0.789 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.967 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -80.88 -52.64 7.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.578 -0.701 . . . . 0.0 110.098 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.67 -38.05 71.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 0.0 109.387 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -12.34 48.9 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.056 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.97 -28.77 10.88 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.417 -0.802 . . . . 0.0 109.78 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.446 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.3 -49.38 13.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.428 -0.795 . . . . 0.0 110.186 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -27.59 8.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.375 -0.828 . . . . 0.0 110.082 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . . . -68.84 -35.64 77.2 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.421 -0.799 . . . . 0.0 109.928 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.5 m-30 -77.12 -9.55 58.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.31 -0.869 . . . . 0.0 110.356 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -114.54 -42.01 3.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.277 -0.889 . . . . 0.0 110.839 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.12 -24.13 17.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.258 -0.902 . . . . 0.0 111.407 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -90.2 23.44 2.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.946 . . . . 0.0 110.707 -179.814 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -61.81 -54.67 39.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.157 -0.965 . . . . 0.0 109.925 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 168.51 -13.47 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.304 0.573 . . . . 0.0 109.889 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 15' ' ' LYS . 1.8 m-85 -50.95 -52.93 37.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.424 -0.798 . . . . 0.0 110.402 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.805 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.209 0.528 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.19 123.12 43.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.357 -0.839 . . . . 0.0 110.236 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t -136.71 42.14 2.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.405 -0.809 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.885 ' HA ' HD23 ' A' ' 7' ' ' LEU . 4.6 mm? -83.56 -52.55 6.37 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.454 -0.779 . . . . 0.0 109.751 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -35.56 70.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.221 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -13.67 53.68 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.931 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.885 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.03 -27.72 13.72 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.42 -0.8 . . . . 0.0 109.664 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.471 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 13.0 ttp -82.58 -54.9 4.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.527 -0.733 . . . . 0.0 109.917 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -27.67 14.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.454 -0.779 . . . . 0.0 109.985 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . . . -62.09 -40.14 94.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.511 -0.743 . . . . 0.0 109.869 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.651 ' CE2' HD12 ' A' ' 7' ' ' LEU . 5.3 m-30 -78.63 -14.8 59.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.387 -0.821 . . . . 0.0 110.122 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' O ' ' CZ ' ' A' ' 17' ' ' PHE . 2.5 tt0 -98.43 -44.97 6.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.395 -0.815 . . . . 0.0 110.816 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.3 -18.46 13.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.139 -0.976 . . . . 0.0 111.266 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 10' ' ' ALA . 4.5 tp -109.68 29.39 7.63 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.254 -0.904 . . . . 0.0 110.665 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 4.7 tmtm? -74.41 -50.58 17.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.372 -0.83 . . . . 0.0 110.133 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.48 -29.71 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.584 0.707 . . . . 0.0 109.177 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -73.82 56.84 0.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.779 -0.575 . . . . 0.0 110.511 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.729 -1.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.159 0.504 . . . . 0.0 110.129 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.73 51.33 0.84 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.371 -0.83 . . . . 0.0 110.232 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 p -106.75 45.24 0.99 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.392 -0.817 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.955 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.5 pp -60.64 -48.36 82.14 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.365 -0.834 . . . . 0.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.695 ' N ' HD12 ' A' ' 4' ' ' LEU . 2.6 tt0 -62.67 -35.47 79.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 0.0 108.901 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.33 -13.91 59.61 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.955 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -97.52 -24.45 15.56 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.483 -0.761 . . . . 0.0 109.728 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.422 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.77 -56.75 3.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.489 -0.757 . . . . 0.0 109.707 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.69 12.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.721 . . . . 0.0 109.777 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . . . -67.85 -39.11 83.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 110.04 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.712 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.4 m-30 -74.14 -14.21 60.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.385 -0.822 . . . . 0.0 110.467 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.09 -43.28 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.241 -0.912 . . . . 0.0 110.462 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 t -90.01 -30.86 17.48 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.404 -0.81 . . . . 0.0 110.601 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -98.49 47.2 0.99 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.472 -0.768 . . . . 0.0 110.225 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 6.8 tttm -83.07 -56.71 3.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.82 . . . . 0.0 110.542 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.89 -11.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.479 -0.763 . . . . 0.0 110.548 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 2.3 m-85 -39.14 107.74 0.07 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.585 -0.697 . . . . 0.0 110.921 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.202 0.525 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.67 136.64 6.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.179 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.44 HG23 ' HD2' ' A' ' 6' ' ' LYS . 12.7 m -121.0 44.27 2.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 110.219 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.93 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -81.34 -54.3 5.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.423 -0.798 . . . . 0.0 110.161 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.75 -36.36 69.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.068 -1.02 . . . . 0.0 109.422 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HD2' HG23 ' A' ' 3' ' ' THR . 11.0 mttm -64.82 -13.23 55.05 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.019 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.93 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.79 -27.01 13.84 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.444 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -83.82 -54.96 4.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 110.185 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -22.16 14.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.394 -0.816 . . . . 0.0 110.274 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -69.89 -53.2 19.08 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.233 -0.917 . . . . 0.0 110.084 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.4 m-30 -56.8 -21.44 28.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.164 -0.96 . . . . 0.0 110.61 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.99 -46.65 4.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 110.255 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 m -75.09 -34.81 61.78 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 110.845 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 7.8 tt -60.17 -19.92 56.16 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.458 -0.776 . . . . 0.0 110.383 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -67.56 -60.66 2.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.89 . . . . 0.0 109.946 179.727 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 169.2 -26.91 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.682 0.753 . . . . 0.0 109.422 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 2.7 p90 -98.32 -167.77 1.55 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.783 -0.573 . . . . 0.0 110.109 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mmt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.117 0.484 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.14 65.62 0.24 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.436 HG23 ' HE2' ' A' ' 6' ' ' LYS . 5.1 m -123.81 41.38 3.5 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.325 -0.859 . . . . 0.0 110.161 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.991 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -88.23 -49.05 7.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.466 -0.771 . . . . 0.0 109.922 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.76 -38.54 75.58 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HE2' HG23 ' A' ' 3' ' ' THR . 1.8 ttpt -63.69 -13.84 46.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.49 -0.756 . . . . 0.0 109.161 178.383 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.991 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -100.71 -27.69 13.23 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.445 -0.784 . . . . 0.0 109.959 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.45 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.3 ttp -81.84 -61.33 1.95 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 110.238 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -25.96 11.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.44 -0.787 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . . . -63.17 -40.65 98.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.881 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 7' ' ' LEU . 8.3 m-30 -76.33 -15.33 60.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.345 -0.847 . . . . 0.0 110.17 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -101.17 -44.78 5.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.912 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.17 -29.42 13.6 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.22 -0.925 . . . . 0.0 110.917 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -96.38 29.95 2.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.367 -0.833 . . . . 0.0 110.589 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 2.6 tmtt? -69.27 -42.91 74.92 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.326 -0.859 . . . . 0.0 109.918 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.68 -31.04 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.858 0.837 . . . . 0.0 108.898 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -80.58 179.84 7.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.894 -0.503 . . . . 0.0 110.136 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.869 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.234 0.54 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.49 -65.07 1.23 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 110.173 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 52.4 44.26 30.06 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.374 -0.829 . . . . 0.0 110.486 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.887 ' HA ' HD23 ' A' ' 7' ' ' LEU . 13.3 mt -83.78 -55.12 4.43 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.367 -0.833 . . . . 0.0 110.082 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.53 -36.05 68.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.941 . . . . 0.0 109.268 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -63.18 -14.58 50.6 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.688 -0.805 . . . . 0.0 108.917 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -95.29 -25.55 16.29 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 121.45 -0.781 . . . . 0.0 109.517 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.437 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -90.76 -47.88 7.37 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.531 -0.731 . . . . 0.0 110.127 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.67 -25.56 11.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.337 -0.852 . . . . 0.0 110.178 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -73.53 -38.25 65.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.358 -0.839 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.675 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.7 m-30 -69.13 -11.54 60.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.056 -1.027 . . . . 0.0 110.602 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.19 -40.78 2.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.243 -0.91 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 5.2 m -80.88 -25.46 37.57 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.457 -0.777 . . . . 0.0 111.407 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 56.7 tp -51.59 -69.68 0.11 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.295 -0.878 . . . . 0.0 110.335 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 7.6 tttt -133.05 -29.15 1.47 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.248 -0.908 . . . . 0.0 110.709 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -15.28 23.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 0.0 110.961 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 30.0 p90 -50.55 139.82 15.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.126 -0.984 . . . . 0.0 110.635 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mtm . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.14 0.495 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.16 -47.23 0.07 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.386 -0.821 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.9 p 44.19 43.44 5.77 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.592 -0.692 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.998 ' HA ' HD23 ' A' ' 7' ' ' LEU . 12.9 mt -70.43 -51.88 26.25 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.503 -0.748 . . . . 0.0 110.132 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -37.66 72.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.095 -1.003 . . . . 0.0 109.351 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -12.91 55.74 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.181 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -102.53 -24.7 13.78 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.467 -0.77 . . . . 0.0 110.074 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 ttt -84.39 -55.48 4.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.343 -0.848 . . . . 0.0 110.059 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -24.89 7.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.434 -0.791 . . . . 0.0 109.925 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . . . -67.72 -40.37 84.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 110.137 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.8 m-30 -73.23 -15.12 61.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.408 -0.808 . . . . 0.0 110.485 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 -43.31 4.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 0.0 110.45 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -99.82 -21.96 15.53 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.358 -0.839 . . . . 0.0 110.94 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -113.47 41.09 2.23 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.325 -0.859 . . . . 0.0 110.511 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -73.51 -43.14 60.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.286 -0.884 . . . . 0.0 110.078 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.18 -12.78 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.753 -0.592 . . . . 0.0 110.089 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 15' ' ' LYS . 2.1 m-85 -46.1 -64.12 0.82 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.543 -0.723 . . . . 0.0 110.527 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mtp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.158 0.504 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.81 54.93 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.358 -0.839 . . . . 0.0 110.344 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t -123.63 41.67 3.42 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.353 -0.842 . . . . 0.0 110.241 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.951 ' HA ' HD23 ' A' ' 7' ' ' LEU . 5.2 mp -84.21 -52.71 6.04 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.491 -0.756 . . . . 0.0 109.963 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -37.47 70.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.136 -0.978 . . . . 0.0 109.321 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.53 -14.14 38.66 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.399 -0.813 . . . . 0.0 109.0 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.951 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -97.93 -26.78 14.54 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.373 -0.829 . . . . 0.0 109.735 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.467 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.83 -43.77 10.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.407 -0.808 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.21 -24.66 7.56 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.361 -0.837 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -70.71 -45.28 65.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 110.141 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.4 m-85 -60.24 -19.72 55.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.927 . . . . 0.0 110.541 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.7 mt-10 -110.59 -42.34 4.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.0 110.604 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 8.1 t -76.66 -28.63 56.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.488 -0.757 . . . . 0.0 111.029 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 14.4 tp -54.39 -66.87 0.32 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.278 -0.889 . . . . 0.0 110.508 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -127.38 -31.03 2.56 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.271 -0.893 . . . . 0.0 110.96 -179.631 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -60.86 -14.94 25.23 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 111.086 -179.543 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 24.9 p90 -52.96 145.59 12.55 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.101 -0.999 . . . . 0.0 110.588 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.81 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.306 0.574 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.96 93.19 8.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 110.279 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 p -106.4 43.96 1.1 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.327 -0.858 . . . . 0.0 110.137 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.936 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.7 -51.52 16.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.939 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -37.79 73.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.311 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -13.22 48.7 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.922 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.936 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.4 -28.34 11.41 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.407 -0.808 . . . . 0.0 109.661 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.424 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 9.1 tpt -76.28 -51.01 12.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.439 -0.788 . . . . 0.0 110.043 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -53.3 -22.4 7.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.452 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -69.39 -56.45 7.43 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.233 -0.917 . . . . 0.0 110.019 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.482 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.6 m-30 -53.87 -20.85 6.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.9 mt-10 -104.98 -43.51 5.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.894 . . . . 0.0 110.674 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -83.67 -27.52 29.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.0 111.411 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.877 ' O ' HD13 ' A' ' 14' ' ' LEU . 3.3 tm? -56.62 -27.5 58.42 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.168 -0.957 . . . . 0.0 109.866 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 1.9 mmpt? -68.33 -63.18 1.11 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.334 -0.854 . . . . 0.0 109.828 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 2.9 t 169.55 -30.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.729 0.776 . . . . 0.0 109.03 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 4.2 p90 -91.87 149.15 21.72 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.929 -0.482 . . . . 0.0 110.321 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptm . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.183 0.516 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.18 22.73 1.53 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t -171.19 45.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.178 -0.951 . . . . 0.0 110.139 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.906 ' HA ' HD23 ' A' ' 7' ' ' LEU . 3.7 mm? -79.72 -55.42 5.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.817 . . . . 0.0 110.31 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.26 -35.06 69.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.061 -1.024 . . . . 0.0 109.318 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -12.02 55.08 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.906 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -106.05 -25.0 12.25 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.474 -0.766 . . . . 0.0 110.134 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ttm -81.64 -53.05 6.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.312 -0.868 . . . . 0.0 110.455 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -52.96 -23.9 8.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -69.15 -40.84 77.96 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.0 m-30 -70.81 -15.23 62.64 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.0 110.473 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.97 -43.42 4.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.208 -0.933 . . . . 0.0 110.743 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -23.65 20.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.83 . . . . 0.0 111.419 -178.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -94.83 36.69 1.17 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.196 -0.94 . . . . 0.0 110.954 -179.488 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 7.7 tttm -72.44 -41.21 66.41 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.163 -0.961 . . . . 0.0 109.902 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.43 -31.93 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.854 0.835 . . . . 0.0 108.756 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -77.54 160.38 28.65 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.919 -0.488 . . . . 0.0 110.128 179.613 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.819 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.401 ' HG1' ' HB3' ' A' ' 6' ' ' LYS . 7.6 t . . . . . 0 N--CA 1.494 1.739 0 CA-C-O 121.351 0.596 . . . . 0.0 110.113 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 1.021 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.6 pp -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.518 -0.738 . . . . 0.0 110.69 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.69 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -60.82 -38.08 84.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.023 . . . . 0.0 109.197 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' HG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -63.83 -13.6 45.93 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.048 178.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 1.021 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.68 -26.82 13.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.269 -0.894 . . . . 0.0 109.807 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.44 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.3 ttt -87.16 -44.35 11.56 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.467 -0.771 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.93 -25.45 11.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 109.997 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -77.26 -27.67 53.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.24 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.4 m-30 -82.39 -3.7 56.01 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.078 -1.014 . . . . 0.0 110.318 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.04 -38.85 0.87 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.843 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 111.225 -178.835 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 3' ' ' THR . 22.6 m . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.281 0.563 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.939 ' HA ' HD23 ' A' ' 7' ' ' LEU . 20.5 mt -79.5 -54.08 6.26 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.476 -0.765 . . . . 0.0 109.906 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -35.53 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.31 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.49 -13.84 54.14 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.959 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.939 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -96.89 -26.71 14.98 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.423 -0.798 . . . . 0.0 109.76 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.45 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 3.0 tpp -86.26 -58.97 2.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -20.96 17.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.317 -0.864 . . . . 0.0 110.36 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.47 -48.0 44.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 110.055 179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.727 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.6 m-30 -62.5 -16.61 56.61 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.23 -0.918 . . . . 0.0 110.594 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.83 -41.17 4.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 110.69 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.6 t . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.427 -0.795 . . . . 0.0 111.53 -178.896 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.492 1.66 0 CA-C-O 121.21 0.529 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.83 ' HA ' HD23 ' A' ' 7' ' ' LEU . 10.8 mp -75.92 -55.78 5.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.461 -0.774 . . . . 0.0 110.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.89 -34.92 68.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.185 -0.947 . . . . 0.0 109.207 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -15.47 57.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.83 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -93.34 -28.2 16.33 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.506 -0.746 . . . . 0.0 109.549 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.471 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.7 ttm -86.94 -52.89 5.2 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.602 -0.686 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -54.0 -23.57 13.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.4 -0.813 . . . . 0.0 110.166 179.71 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.8 -47.81 57.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.208 -0.932 . . . . 0.0 110.119 179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.5 m-30 -60.02 -17.82 41.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 0.0 110.64 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -110.57 -43.27 3.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.293 -0.88 . . . . 0.0 110.592 -179.807 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 9.8 t . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.536 -0.727 . . . . 0.0 111.27 -178.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.492 1.664 0 CA-C-O 121.261 0.553 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.907 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -72.37 -54.73 8.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.962 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.27 69.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.272 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -63.23 -14.69 52.08 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.021 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.907 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -95.66 -27.28 15.38 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.426 -0.796 . . . . 0.0 109.811 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.47 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.5 tpt -86.48 -57.83 2.85 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.469 -0.77 . . . . 0.0 110.09 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -24.39 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 110.208 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.54 -39.38 67.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 110.301 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.745 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.8 m-30 -71.96 -11.12 60.63 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.174 -0.954 . . . . 0.0 110.495 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -116.06 -42.55 3.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.282 -0.886 . . . . 0.0 110.482 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.453 -0.779 . . . . 0.0 111.065 -179.07 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 121.252 0.548 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.831 ' HA ' HD23 ' A' ' 7' ' ' LEU . 7.3 mt -105.46 -56.57 2.16 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.78 -34.6 67.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 109.2 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -63.31 -15.51 57.52 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.831 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -93.65 -27.71 16.41 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.531 -0.731 . . . . 0.0 109.558 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.466 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 18.8 ttt -87.2 -55.96 3.58 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.495 -0.753 . . . . 0.0 110.188 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -53.06 -24.38 9.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.399 -0.813 . . . . 0.0 110.281 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.42 -47.31 61.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 0.0 110.277 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.2 m-30 -60.82 -17.1 47.65 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.173 -0.955 . . . . 0.0 110.67 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -111.88 -42.83 3.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.638 -179.688 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 14.2 p . . . . . 0 N--CA 1.492 1.632 0 O-C-N 121.476 -0.765 . . . . 0.0 111.359 -178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.204 0.526 . . . . 0.0 109.96 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.948 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -65.27 -54.02 35.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.513 -0.742 . . . . 0.0 109.981 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -37.52 72.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 109.237 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -13.11 51.54 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.758 -0.777 . . . . 0.0 109.036 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.948 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -102.2 -29.27 11.81 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.426 -0.796 . . . . 0.0 109.65 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.446 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 ttt -83.12 -38.77 21.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.458 -0.776 . . . . 0.0 109.964 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -51.99 -26.81 11.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.942 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -75.82 -27.61 57.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -0.892 . . . . 0.0 110.257 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.3 m-30 -79.39 -6.36 56.66 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.151 -0.968 . . . . 0.0 109.633 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -125.76 -40.8 2.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.465 -0.772 . . . . 0.0 110.344 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 15.7 p . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 0.0 110.663 -179.307 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.199 0.523 . . . . 0.0 110.36 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.838 ' HA ' HD23 ' A' ' 7' ' ' LEU . 21.0 mt -73.15 -55.96 5.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 110.018 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -34.39 67.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -64.22 -14.77 57.59 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.838 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -94.74 -29.29 14.85 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 121.493 -0.755 . . . . 0.0 109.507 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.472 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.6 ttm -83.65 -57.8 3.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.568 -0.708 . . . . 0.0 109.765 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -23.85 17.46 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.384 -0.823 . . . . 0.0 109.993 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.12 -42.15 84.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.364 -0.835 . . . . 0.0 109.904 179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.692 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.4 m-30 -69.41 -18.71 63.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.265 -0.897 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -45.17 5.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.0 110.52 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 110.935 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.247 0.546 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.886 ' HA ' HD23 ' A' ' 7' ' ' LEU . 5.7 mt -76.01 -52.23 10.66 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.371 -0.831 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.16 -38.76 74.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.037 -1.039 . . . . 0.0 109.216 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -14.02 36.48 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.886 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -107.59 -33.3 7.35 Favored 'General case' 0 C--N 1.314 -0.959 0 O-C-N 121.485 -0.759 . . . . 0.0 109.285 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.513 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 tpp -67.29 -39.98 86.06 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.448 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -49.67 -27.38 4.65 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.978 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 -18.08 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.441 -0.787 . . . . 0.0 110.626 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.706 ' CE1' HD12 ' A' ' 7' ' ' LEU . 2.3 m-85 -93.87 1.47 56.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.623 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.03 -39.44 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.579 -0.701 . . . . 0.0 110.45 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.414 -0.804 . . . . 0.0 111.229 -179.126 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p . . . . . 0 N--CA 1.499 1.988 0 CA-C-O 121.194 0.521 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.987 ' HA ' HD23 ' A' ' 7' ' ' LEU . 55.8 mt -64.33 -54.62 30.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.758 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.59 -35.29 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.063 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -13.38 58.89 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.987 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -101.15 -27.3 13.31 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.419 -0.801 . . . . 0.0 109.612 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.433 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.68 -62.94 1.53 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.484 -0.76 . . . . 0.0 110.061 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.28 -23.61 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.334 -0.854 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.04 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.249 -0.907 . . . . 0.0 110.192 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.688 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.2 m-30 -68.98 -20.97 64.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.84 -46.45 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.315 -0.866 . . . . 0.0 110.576 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.388 -0.82 . . . . 0.0 110.961 -179.343 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t . . . . . 0 N--CA 1.493 1.686 0 CA-C-O 121.32 0.581 . . . . 0.0 110.214 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.98 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -69.49 -54.26 15.1 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.381 -0.824 . . . . 0.0 110.003 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.29 -35.76 70.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.0 109.308 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -12.71 57.19 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.98 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -101.48 -27.47 13.11 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 121.414 -0.804 . . . . 0.0 109.77 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.438 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.7 ttt -83.35 -48.63 10.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -51.78 -25.93 8.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 110.129 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -72.01 -35.74 69.53 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.432 -0.792 . . . . 0.0 110.08 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.614 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.9 m-30 -75.3 -9.4 58.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.947 . . . . 0.0 110.462 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.62 -40.77 2.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.261 -0.899 . . . . 0.0 110.758 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 111.334 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 121.258 0.551 . . . . 0.0 110.4 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.967 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -80.88 -52.64 7.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.578 -0.701 . . . . 0.0 110.098 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.67 -38.05 71.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 0.0 109.387 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -12.34 48.9 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.056 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.97 -28.77 10.88 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.417 -0.802 . . . . 0.0 109.78 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.446 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.3 -49.38 13.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.428 -0.795 . . . . 0.0 110.186 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -27.59 8.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.375 -0.828 . . . . 0.0 110.082 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -68.84 -35.64 77.2 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.421 -0.799 . . . . 0.0 109.928 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.5 m-30 -77.12 -9.55 58.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.31 -0.869 . . . . 0.0 110.356 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -114.54 -42.01 3.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.277 -0.889 . . . . 0.0 110.839 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.258 -0.902 . . . . 0.0 111.407 -178.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.378 0.608 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.885 ' HA ' HD23 ' A' ' 7' ' ' LEU . 4.6 mm? -83.56 -52.55 6.37 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.454 -0.779 . . . . 0.0 109.751 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -35.56 70.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.221 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -13.67 53.68 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.931 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.885 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.03 -27.72 13.72 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.42 -0.8 . . . . 0.0 109.664 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.471 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 13.0 ttp -82.58 -54.9 4.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.527 -0.733 . . . . 0.0 109.917 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -27.67 14.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.454 -0.779 . . . . 0.0 109.985 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.09 -40.14 94.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.511 -0.743 . . . . 0.0 109.869 179.59 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.651 ' CE2' HD12 ' A' ' 7' ' ' LEU . 5.3 m-30 -78.63 -14.8 59.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.387 -0.821 . . . . 0.0 110.122 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -98.43 -44.97 6.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.395 -0.815 . . . . 0.0 110.816 -179.247 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.441 0 O-C-N 121.139 -0.976 . . . . 0.0 111.266 -179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.235 0.541 . . . . 0.0 110.298 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.955 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.5 pp -60.64 -48.36 82.14 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.365 -0.834 . . . . 0.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.695 ' N ' HD12 ' A' ' 4' ' ' LEU . 2.6 tt0 -62.67 -35.47 79.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 0.0 108.901 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.33 -13.91 59.61 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.955 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -97.52 -24.45 15.56 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.483 -0.761 . . . . 0.0 109.728 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.422 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.77 -56.75 3.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.489 -0.757 . . . . 0.0 109.707 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.69 12.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.721 . . . . 0.0 109.777 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.85 -39.11 83.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 110.04 179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.712 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.4 m-30 -74.14 -14.21 60.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.385 -0.822 . . . . 0.0 110.467 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.09 -43.28 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.241 -0.912 . . . . 0.0 110.462 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 N--CA 1.488 1.456 0 O-C-N 121.404 -0.81 . . . . 0.0 110.601 -179.616 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.44 HG23 ' HD2' ' A' ' 6' ' ' LYS . 12.7 m . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.281 0.562 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.93 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -81.34 -54.3 5.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.423 -0.798 . . . . 0.0 110.161 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.75 -36.36 69.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.068 -1.02 . . . . 0.0 109.422 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HD2' HG23 ' A' ' 3' ' ' THR . 11.0 mttm -64.82 -13.23 55.05 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.019 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.93 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.79 -27.01 13.84 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.444 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -83.82 -54.96 4.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 110.185 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -22.16 14.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.394 -0.816 . . . . 0.0 110.274 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.89 -53.2 19.08 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.233 -0.917 . . . . 0.0 110.084 179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.4 m-30 -56.8 -21.44 28.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.164 -0.96 . . . . 0.0 110.61 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -101.99 -46.65 4.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 110.255 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 m . . . . . 0 N--CA 1.488 1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 110.845 -179.229 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.436 HG23 ' HE2' ' A' ' 6' ' ' LYS . 5.1 m . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.433 0.635 . . . . 0.0 110.161 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.991 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -88.23 -49.05 7.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.466 -0.771 . . . . 0.0 109.922 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.76 -38.54 75.58 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HE2' HG23 ' A' ' 3' ' ' THR . 1.8 ttpt -63.69 -13.84 46.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.49 -0.756 . . . . 0.0 109.161 178.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.991 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -100.71 -27.69 13.23 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.445 -0.784 . . . . 0.0 109.959 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.45 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.3 ttp -81.84 -61.33 1.95 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 110.238 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -25.96 11.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.44 -0.787 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -63.17 -40.65 98.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.881 179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 7' ' ' LEU . 8.3 m-30 -76.33 -15.33 60.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.345 -0.847 . . . . 0.0 110.17 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -101.17 -44.78 5.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.912 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.22 -0.925 . . . . 0.0 110.917 -179.214 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 N--CA 1.496 1.874 0 CA-C-O 121.212 0.529 . . . . 0.0 110.486 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.887 ' HA ' HD23 ' A' ' 7' ' ' LEU . 13.3 mt -83.78 -55.12 4.43 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.367 -0.833 . . . . 0.0 110.082 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.53 -36.05 68.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.941 . . . . 0.0 109.268 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -63.18 -14.58 50.6 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.688 -0.805 . . . . 0.0 108.917 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -95.29 -25.55 16.29 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 121.45 -0.781 . . . . 0.0 109.517 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.437 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -90.76 -47.88 7.37 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.531 -0.731 . . . . 0.0 110.127 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.67 -25.56 11.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.337 -0.852 . . . . 0.0 110.178 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.53 -38.25 65.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.358 -0.839 . . . . 0.0 110.402 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.675 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.7 m-30 -69.13 -11.54 60.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.056 -1.027 . . . . 0.0 110.602 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.19 -40.78 2.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.243 -0.91 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 5.2 m . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.457 -0.777 . . . . 0.0 111.407 -178.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.9 p . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 121.355 0.598 . . . . 0.0 110.754 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.998 ' HA ' HD23 ' A' ' 7' ' ' LEU . 12.9 mt -70.43 -51.88 26.25 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.503 -0.748 . . . . 0.0 110.132 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -37.66 72.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.095 -1.003 . . . . 0.0 109.351 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -12.91 55.74 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.181 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -102.53 -24.7 13.78 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.467 -0.77 . . . . 0.0 110.074 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 ttt -84.39 -55.48 4.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.343 -0.848 . . . . 0.0 110.059 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -24.89 7.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.434 -0.791 . . . . 0.0 109.925 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.72 -40.37 84.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 110.137 179.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.8 m-30 -73.23 -15.12 61.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.408 -0.808 . . . . 0.0 110.485 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 -43.31 4.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 0.0 110.45 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 N--CA 1.487 1.392 0 O-C-N 121.358 -0.839 . . . . 0.0 110.94 -179.642 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t . . . . . 0 N--CA 1.493 1.714 0 CA-C-O 121.284 0.564 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.951 ' HA ' HD23 ' A' ' 7' ' ' LEU . 5.2 mp -84.21 -52.71 6.04 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.491 -0.756 . . . . 0.0 109.963 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -37.47 70.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.136 -0.978 . . . . 0.0 109.321 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.53 -14.14 38.66 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.399 -0.813 . . . . 0.0 109.0 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.951 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -97.93 -26.78 14.54 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.373 -0.829 . . . . 0.0 109.735 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.467 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.83 -43.77 10.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.407 -0.808 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.21 -24.66 7.56 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.361 -0.837 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -70.71 -45.28 65.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 110.141 179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.4 m-85 -60.24 -19.72 55.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.927 . . . . 0.0 110.541 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -110.59 -42.34 4.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.0 110.604 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 8.1 t . . . . . 0 N--CA 1.492 1.625 0 O-C-N 121.488 -0.757 . . . . 0.0 111.029 -178.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.298 0.57 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.936 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.7 -51.52 16.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.939 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -37.79 73.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.311 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -13.22 48.7 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.922 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.936 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.4 -28.34 11.41 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.407 -0.808 . . . . 0.0 109.661 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.424 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 9.1 tpt -76.28 -51.01 12.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.439 -0.788 . . . . 0.0 110.043 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -53.3 -22.4 7.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.452 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.39 -56.45 7.43 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.233 -0.917 . . . . 0.0 110.019 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.482 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.6 m-30 -53.87 -20.85 6.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -104.98 -43.51 5.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.894 . . . . 0.0 110.674 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.0 111.411 -178.827 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t . . . . . 0 N--CA 1.494 1.753 0 CA-C-O 121.264 0.554 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.906 ' HA ' HD23 ' A' ' 7' ' ' LEU . 3.7 mm? -79.72 -55.42 5.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.817 . . . . 0.0 110.31 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.26 -35.06 69.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.061 -1.024 . . . . 0.0 109.318 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -12.02 55.08 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.906 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -106.05 -25.0 12.25 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.474 -0.766 . . . . 0.0 110.134 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ttm -81.64 -53.05 6.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.312 -0.868 . . . . 0.0 110.455 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -52.96 -23.9 8.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -69.15 -40.84 77.96 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.0 m-30 -70.81 -15.23 62.64 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.0 110.473 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.97 -43.42 4.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.208 -0.933 . . . . 0.0 110.743 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.83 . . . . 0.0 111.419 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 121.182 0.515 . . . . 0.0 110.233 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.33 91.42 1.9 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.354 -0.841 . . . . 0.0 110.234 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.401 ' HG1' ' HB3' ' A' ' 6' ' ' LYS . 7.6 t -167.9 40.62 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.425 -0.797 . . . . 0.0 110.113 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 1.021 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.6 pp -64.39 -48.92 73.61 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.518 -0.738 . . . . 0.0 110.69 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.69 ' N ' HD12 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -60.82 -38.08 84.19 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.063 -1.023 . . . . 0.0 109.197 179.561 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.401 ' HB3' ' HG1' ' A' ' 3' ' ' THR . 0.0 OUTLIER -63.83 -13.6 45.93 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.769 -0.772 . . . . 0.0 109.048 178.236 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 1.021 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.68 -26.82 13.94 Favored 'General case' 0 N--CA 1.482 1.166 0 O-C-N 121.269 -0.894 . . . . 0.0 109.807 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.44 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.3 ttt -87.16 -44.35 11.56 Favored 'General case' 0 N--CA 1.487 1.402 0 O-C-N 121.467 -0.771 . . . . 0.0 110.253 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.93 -25.45 11.87 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.325 -0.859 . . . . 0.0 109.997 179.756 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.407 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -77.26 -27.67 53.28 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.385 -0.822 . . . . 0.0 110.24 179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.4 m-30 -82.39 -3.7 56.01 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.078 -1.014 . . . . 0.0 110.318 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -134.04 -38.85 0.87 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.327 -0.858 . . . . 0.0 110.843 -179.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.401 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 1.0 OUTLIER -87.01 -22.19 25.65 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.402 -0.811 . . . . 0.0 111.225 -178.835 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 27.8 tp -57.11 -67.85 0.28 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.247 -0.908 . . . . 0.0 110.322 -179.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 20.1 tttm -123.52 -28.68 3.88 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.381 -0.824 . . . . 0.0 110.595 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.29 -14.22 54.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.309 -0.869 . . . . 0.0 110.93 -179.674 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 28.1 p90 -53.97 -29.92 44.82 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.112 -0.992 . . . . 0.0 110.561 -179.751 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.416 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.304 -1.375 0 O-C-N 119.907 -1.746 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mtt . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.246 0.546 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.82 132.73 3.24 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.367 -0.833 . . . . 0.0 110.218 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.438 HG22 ' O ' ' A' ' 3' ' ' THR . 22.6 m -107.14 43.38 1.17 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.365 -0.834 . . . . 0.0 110.256 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.939 ' HA ' HD23 ' A' ' 7' ' ' LEU . 20.5 mt -79.5 -54.08 6.26 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.476 -0.765 . . . . 0.0 109.906 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.82 -35.53 68.89 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.172 -0.955 . . . . 0.0 109.31 179.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 11.9 mttt -64.49 -13.84 54.14 Favored 'General case' 0 C--N 1.305 -1.36 0 C-N-CA 119.721 -0.792 . . . . 0.0 108.959 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.939 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -96.89 -26.71 14.98 Favored 'General case' 0 N--CA 1.483 1.221 0 O-C-N 121.423 -0.798 . . . . 0.0 109.76 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.45 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 3.0 tpp -86.26 -58.97 2.42 Favored 'General case' 0 N--CA 1.486 1.368 0 O-C-N 121.488 -0.758 . . . . 0.0 110.1 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.9 -20.96 17.79 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.317 -0.864 . . . . 0.0 110.36 179.743 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.458 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -72.47 -48.0 44.25 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.259 -0.901 . . . . 0.0 110.055 179.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.727 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.6 m-30 -62.5 -16.61 56.61 Favored 'General case' 0 N--CA 1.488 1.431 0 O-C-N 121.23 -0.918 . . . . 0.0 110.594 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -110.83 -41.17 4.33 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.185 -0.947 . . . . 0.0 110.69 -179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.404 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 3.6 t -91.37 -19.5 22.84 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.427 -0.795 . . . . 0.0 111.53 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.462 HD23 ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -91.9 32.56 1.12 Allowed 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.016 -1.052 . . . . 0.0 110.555 -179.747 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 0.0 OUTLIER -64.35 -46.24 84.29 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.192 -0.943 . . . . 0.0 109.97 179.615 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.86 -33.92 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 CA-C-O 121.996 0.903 . . . . 0.0 108.629 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.494 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 4.0 p90 -71.77 -178.4 2.27 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.17 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.335 0 O-C-N 119.8 -1.812 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.1 mtt . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.19 0.519 . . . . 0.0 110.222 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.71 -160.37 0.97 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.383 -0.823 . . . . 0.0 110.181 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.2 t -160.33 44.53 0.21 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.241 -0.912 . . . . 0.0 110.372 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.83 ' HA ' HD23 ' A' ' 7' ' ' LEU . 10.8 mp -75.92 -55.78 5.3 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.461 -0.774 . . . . 0.0 110.103 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -56.89 -34.92 68.36 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.185 -0.947 . . . . 0.0 109.207 179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -15.47 57.31 Favored 'General case' 0 C--N 1.303 -1.414 0 N-CA-C 108.802 -0.814 . . . . 0.0 108.802 178.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.83 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -93.34 -28.2 16.33 Favored 'General case' 0 N--CA 1.484 1.235 0 O-C-N 121.506 -0.746 . . . . 0.0 109.549 179.604 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.471 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 1.7 ttm -86.94 -52.89 5.2 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.602 -0.686 . . . . 0.0 109.936 179.707 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -54.0 -23.57 13.83 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.4 -0.813 . . . . 0.0 110.166 179.71 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.46 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -70.8 -47.81 57.54 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.208 -0.932 . . . . 0.0 110.119 179.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.5 m-30 -60.02 -17.82 41.62 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.205 -0.934 . . . . 0.0 110.64 -179.598 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 0.0 OUTLIER -110.57 -43.27 3.89 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.293 -0.88 . . . . 0.0 110.592 -179.807 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.404 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 9.8 t -78.17 -28.88 48.3 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.536 -0.727 . . . . 0.0 111.27 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 4.9 tp -53.69 -67.35 0.26 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.227 -0.921 . . . . 0.0 110.538 -179.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.48 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 1.2 tmtt? -139.58 -29.04 0.75 Allowed 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.244 -0.91 . . . . 0.0 111.023 -179.676 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.408 ' HB2' ' HA ' ' A' ' 12' ' ' GLU . 2.9 m -59.33 -15.72 17.93 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.155 -0.966 . . . . 0.0 111.105 -179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.48 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 24.1 p90 -52.69 167.87 0.13 Allowed 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.184 -0.948 . . . . 0.0 110.57 -179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.307 0 O-C-N 119.836 -1.79 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 ttt . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 121.2 0.524 . . . . 0.0 110.208 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.74 145.86 32.72 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.391 -0.818 . . . . 0.0 110.3 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.6 t -124.82 44.29 2.82 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.399 -0.813 . . . . 0.0 110.27 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.907 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -72.37 -54.73 8.58 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.39 -0.819 . . . . 0.0 109.962 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.56 -36.27 69.12 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.106 -0.996 . . . . 0.0 109.272 179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 18.3 mttt -63.23 -14.69 52.08 Favored 'General case' 0 C--N 1.305 -1.369 0 C-N-CA 119.733 -0.787 . . . . 0.0 109.021 178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.907 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -95.66 -27.28 15.38 Favored 'General case' 0 N--CA 1.483 1.214 0 O-C-N 121.426 -0.796 . . . . 0.0 109.811 179.779 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.47 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.5 tpt -86.48 -57.83 2.85 Favored 'General case' 0 N--CA 1.486 1.369 0 O-C-N 121.469 -0.77 . . . . 0.0 110.09 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.59 -24.39 13.71 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.383 -0.823 . . . . 0.0 110.208 179.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.442 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -72.54 -39.38 67.56 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.422 -0.799 . . . . 0.0 110.301 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.745 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.8 m-30 -71.96 -11.12 60.63 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.174 -0.954 . . . . 0.0 110.495 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.402 ' O ' ' CB ' ' A' ' 16' ' ' SER . 3.0 mm-40 -116.06 -42.55 3.05 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.282 -0.886 . . . . 0.0 110.482 -179.703 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.3 m -84.38 -28.46 26.95 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.453 -0.779 . . . . 0.0 111.065 -179.07 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 5.2 tp -87.65 -22.15 24.87 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.391 -0.818 . . . . 0.0 110.974 -179.385 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.451 ' O ' ' CZ ' ' A' ' 17' ' ' PHE . 28.4 tttp -118.03 -30.96 5.2 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.137 -0.977 . . . . 0.0 110.89 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.522 ' O ' ' C ' ' A' ' 17' ' ' PHE . 0.2 OUTLIER -101.25 -30.44 11.52 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.128 -0.982 . . . . 0.0 110.239 -179.86 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' A' ' 16' ' ' SER . 0.5 OUTLIER 24.57 60.96 0.05 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 122.052 -0.405 . . . . 0.0 111.704 179.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.303 -1.416 0 O-C-N 119.864 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 ttt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.253 0.549 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.69 -43.53 0.05 Allowed 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.364 -0.835 . . . . 0.0 110.237 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 11.3 m -95.84 43.72 1.08 Allowed 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.385 -0.822 . . . . 0.0 110.299 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.831 ' HA ' HD23 ' A' ' 7' ' ' LEU . 7.3 mt -105.46 -56.57 2.16 Favored 'General case' 0 C--N 1.305 -1.365 0 O-C-N 121.399 -0.813 . . . . 0.0 110.074 179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.78 -34.6 67.78 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.14 -0.975 . . . . 0.0 109.2 179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 4.2 tttt -63.31 -15.51 57.52 Favored 'General case' 0 C--N 1.304 -1.39 0 N-CA-C 108.814 -0.81 . . . . 0.0 108.814 177.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.831 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -93.65 -27.71 16.41 Favored 'General case' 0 N--CA 1.483 1.18 0 O-C-N 121.531 -0.731 . . . . 0.0 109.558 179.678 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.466 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 18.8 ttt -87.2 -55.96 3.58 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.495 -0.753 . . . . 0.0 110.188 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.2 OUTLIER -53.06 -24.38 9.79 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.399 -0.813 . . . . 0.0 110.281 179.908 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -70.42 -47.31 61.38 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.258 -0.901 . . . . 0.0 110.277 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.69 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.2 m-30 -60.82 -17.1 47.65 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.173 -0.955 . . . . 0.0 110.67 -179.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.424 ' HA ' ' HB2' ' A' ' 16' ' ' SER . 3.6 mm-40 -111.88 -42.83 3.71 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.269 -0.894 . . . . 0.0 110.638 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 14.2 p -78.83 -27.77 44.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.476 -0.765 . . . . 0.0 111.359 -178.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.8 OUTLIER -51.39 -69.19 0.12 Allowed 'General case' 0 N--CA 1.499 2.023 0 O-C-N 121.292 -0.88 . . . . 0.0 110.459 -179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 12.8 tttm -127.27 -28.7 2.8 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.244 -0.91 . . . . 0.0 110.634 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.424 ' HB2' ' HA ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -62.8 -14.59 47.17 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.257 -0.902 . . . . 0.0 110.917 -179.676 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 30.5 p90 -53.56 -30.78 43.63 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.218 -0.926 . . . . 0.0 110.536 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . 0.407 ' N ' ' CD1' ' A' ' 17' ' ' PHE . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.8 -1.813 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 ttm . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 121.217 0.532 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 53.03 91.52 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.414 -0.803 . . . . 0.0 110.623 179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 69.9 p -119.49 45.18 2.19 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.28 -0.887 . . . . 0.0 109.96 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.948 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -65.27 -54.02 35.45 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.513 -0.742 . . . . 0.0 109.981 179.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.11 -37.52 72.06 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.101 -0.999 . . . . 0.0 109.237 179.393 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -13.11 51.54 Favored 'General case' 0 C--N 1.303 -1.445 0 C-N-CA 119.758 -0.777 . . . . 0.0 109.036 178.201 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.948 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -102.2 -29.27 11.81 Favored 'General case' 0 N--CA 1.481 1.096 0 O-C-N 121.426 -0.796 . . . . 0.0 109.65 179.83 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.446 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 ttt -83.12 -38.77 21.98 Favored 'General case' 0 N--CA 1.487 1.417 0 O-C-N 121.458 -0.776 . . . . 0.0 109.964 179.782 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.416 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -51.99 -26.81 11.47 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.422 -0.799 . . . . 0.0 109.942 179.681 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.742 ' O ' HD23 ' A' ' 14' ' ' LEU . . . -75.82 -27.61 57.97 Favored 'General case' 0 N--CA 1.488 1.475 0 O-C-N 121.273 -0.892 . . . . 0.0 110.257 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.516 ' N ' ' CD1' ' A' ' 11' ' ' PHE . 10.3 m-30 -79.39 -6.36 56.66 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.151 -0.968 . . . . 0.0 109.633 179.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -125.76 -40.8 2.03 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.465 -0.772 . . . . 0.0 110.344 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 15.7 p -75.11 -28.73 60.34 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.407 -0.808 . . . . 0.0 110.663 -179.307 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 10' ' ' ALA . 1.2 mm? -46.56 -70.23 0.1 Allowed 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.556 -0.715 . . . . 0.0 110.749 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.459 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 1.8 tttm -121.67 -29.21 4.4 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.33 -0.856 . . . . 0.0 110.669 -179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -64.78 -12.82 51.85 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.257 -0.902 . . . . 0.0 110.957 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.459 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 30.1 p90 -49.68 151.88 1.6 Allowed 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.286 -0.883 . . . . 0.0 110.72 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.865 -1.772 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 ttt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.192 0.52 . . . . 0.0 110.233 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.86 126.9 6.36 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.419 -0.8 . . . . 0.0 110.159 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.6 t -154.25 44.53 0.55 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.352 -0.842 . . . . 0.0 110.36 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.838 ' HA ' HD23 ' A' ' 7' ' ' LEU . 21.0 mt -73.15 -55.96 5.76 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.353 -0.842 . . . . 0.0 110.018 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -56.93 -34.39 67.93 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.171 -0.956 . . . . 0.0 109.134 179.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -64.22 -14.77 57.59 Favored 'General case' 0 C--N 1.304 -1.371 0 N-CA-C 108.852 -0.795 . . . . 0.0 108.852 178.078 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.838 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -94.74 -29.29 14.85 Favored 'General case' 0 N--CA 1.482 1.161 0 O-C-N 121.493 -0.755 . . . . 0.0 109.507 179.734 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.472 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 5.6 ttm -83.65 -57.8 3.07 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.568 -0.708 . . . . 0.0 109.765 179.611 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.4 -23.85 17.46 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.384 -0.823 . . . . 0.0 109.993 179.605 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.426 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -67.12 -42.15 84.97 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.364 -0.835 . . . . 0.0 109.904 179.707 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.692 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.4 m-30 -69.41 -18.71 63.78 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.265 -0.897 . . . . 0.0 110.312 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -102.61 -45.17 5.12 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.289 -0.882 . . . . 0.0 110.52 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -87.78 -27.86 22.05 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.355 -0.841 . . . . 0.0 110.935 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.426 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -100.43 33.86 2.57 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.374 -0.829 . . . . 0.0 110.396 -179.801 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.422 ' O ' ' CB ' ' A' ' 16' ' ' SER . 7.6 tttm -69.99 -33.71 72.4 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.386 -0.821 . . . . 0.0 109.947 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 169.76 -28.18 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.848 0 CA-C-O 121.831 0.824 . . . . 0.0 108.963 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.406 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 0.5 OUTLIER -88.04 45.05 1.24 Allowed 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.9 -0.5 . . . . 0.0 110.211 179.77 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.328 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 CA-C-O 121.119 0.485 . . . . 0.0 110.536 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -71.9 142.83 49.51 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.191 -0.943 . . . . 0.0 110.189 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 34.4 p -125.63 45.2 2.65 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.391 -0.818 . . . . 0.0 110.296 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.886 ' HA ' HD23 ' A' ' 7' ' ' LEU . 5.7 mt -76.01 -52.23 10.66 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.371 -0.831 . . . . 0.0 110.101 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -57.16 -38.76 74.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.037 -1.039 . . . . 0.0 109.216 179.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.46 -14.02 36.48 Favored 'General case' 0 C--N 1.304 -1.377 0 N-CA-C 108.688 -0.856 . . . . 0.0 108.688 177.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.886 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -107.59 -33.3 7.35 Favored 'General case' 0 C--N 1.314 -0.959 0 O-C-N 121.485 -0.759 . . . . 0.0 109.285 179.74 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.513 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.9 tpp -67.29 -39.98 86.06 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.534 -0.729 . . . . 0.0 110.448 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 2.4 mptt -49.67 -27.38 4.65 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 121.421 -0.799 . . . . 0.0 109.978 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.411 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -80.54 -18.08 49.55 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.441 -0.787 . . . . 0.0 110.626 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.706 ' CE1' HD12 ' A' ' 7' ' ' LEU . 2.3 m-85 -93.87 1.47 56.38 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.267 -0.896 . . . . 0.0 109.623 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -138.03 -39.44 0.55 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.579 -0.701 . . . . 0.0 110.45 -179.829 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.5 m -91.59 -20.83 21.24 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.414 -0.804 . . . . 0.0 111.229 -179.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.411 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 27.3 tp -64.37 -11.86 36.79 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.311 -0.868 . . . . 0.0 110.993 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.468 ' O ' ' CB ' ' A' ' 16' ' ' SER . 1.4 tptt -72.42 -66.54 0.64 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.101 -0.999 . . . . 0.0 109.928 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.468 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 166.55 -16.68 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.688 -0.632 . . . . 0.0 110.334 179.869 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' CE2' ' CB ' ' A' ' 15' ' ' LYS . 1.6 m-85 -52.5 128.37 25.61 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.305 -0.872 . . . . 0.0 110.283 -179.552 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.355 0 O-C-N 119.846 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.16 0.505 . . . . 0.0 110.271 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.2 -163.9 1.89 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.356 -0.84 . . . . 0.0 110.11 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 76.8 p 43.7 52.06 6.41 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.713 -0.617 . . . . 0.0 110.971 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.987 ' HA ' HD23 ' A' ' 7' ' ' LEU . 55.8 mt -64.33 -54.62 30.26 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.242 -0.911 . . . . 0.0 109.758 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.59 -35.29 72.18 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.233 -0.917 . . . . 0.0 109.063 179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.58 -13.38 58.89 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 178.101 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.987 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -101.15 -27.3 13.31 Favored 'General case' 0 N--CA 1.482 1.169 0 O-C-N 121.419 -0.801 . . . . 0.0 109.612 179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.433 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -79.68 -62.94 1.53 Allowed 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.484 -0.76 . . . . 0.0 110.061 179.851 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.28 -23.61 15.67 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.334 -0.854 . . . . 0.0 110.232 179.677 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -64.42 -45.09 89.04 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.249 -0.907 . . . . 0.0 110.192 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.688 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.2 m-30 -68.98 -20.97 64.19 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.287 -0.883 . . . . 0.0 110.377 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.84 -46.45 6.24 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.315 -0.866 . . . . 0.0 110.576 -179.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.9 m -87.53 -33.03 19.09 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.388 -0.82 . . . . 0.0 110.961 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -97.52 46.71 1.02 Allowed 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.407 -0.808 . . . . 0.0 110.347 -179.732 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.464 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 7.6 tttt -79.22 -50.65 10.62 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.274 -0.891 . . . . 0.0 110.424 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 173.89 -11.98 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.551 -0.718 . . . . 0.0 110.404 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.464 ' CZ ' ' HB3' ' A' ' 15' ' ' LYS . 1.8 m-85 -43.09 102.25 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.505 -0.747 . . . . 0.0 110.66 -179.553 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.333 0 O-C-N 119.817 -1.802 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.4 ttt . . . . . 0 N--CA 1.492 1.667 0 CA-C-O 121.088 0.47 . . . . 0.0 110.351 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.19 178.21 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.876 0 O-C-N 121.357 -0.84 . . . . 0.0 110.502 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.1 t -169.96 44.24 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.392 -0.817 . . . . 0.0 110.214 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.98 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -69.49 -54.26 15.1 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.381 -0.824 . . . . 0.0 110.003 179.877 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -57.29 -35.76 70.2 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.159 -0.963 . . . . 0.0 109.308 179.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.05 -12.71 57.19 Favored 'General case' 0 C--N 1.303 -1.44 0 N-CA-C 108.901 -0.778 . . . . 0.0 108.901 178.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.98 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -101.48 -27.47 13.11 Favored 'General case' 0 N--CA 1.482 1.154 0 O-C-N 121.414 -0.804 . . . . 0.0 109.77 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.438 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.7 ttt -83.35 -48.63 10.19 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.442 -0.786 . . . . 0.0 110.137 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -51.78 -25.93 8.63 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.386 -0.821 . . . . 0.0 110.129 179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.447 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -72.01 -35.74 69.53 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.432 -0.792 . . . . 0.0 110.08 179.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.614 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.9 m-30 -75.3 -9.4 58.53 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.184 -0.947 . . . . 0.0 110.462 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.62 -40.77 2.86 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.261 -0.899 . . . . 0.0 110.758 -179.573 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.86 -23.21 20.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.344 -0.847 . . . . 0.0 111.334 -178.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 4.4 tp -88.32 17.71 5.01 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.253 -0.904 . . . . 0.0 110.844 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 6.8 tptt -62.21 -55.08 32.09 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.204 -0.935 . . . . 0.0 109.991 179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 173.62 -39.9 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 108.205 -1.035 . . . . 0.0 108.205 -179.811 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 1.6 p90 -71.42 173.15 8.27 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.133 179.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.361 0 O-C-N 119.924 -1.735 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.5 mtm . . . . . 0 N--CA 1.493 1.68 0 CA-C-O 121.22 0.533 . . . . 0.0 110.275 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -139.85 -68.55 0.42 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.337 -0.852 . . . . 0.0 110.231 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 8.3 m 52.5 43.08 31.42 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.437 -0.789 . . . . 0.0 110.4 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.967 ' HA ' HD23 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -80.88 -52.64 7.25 Favored 'General case' 0 C--N 1.304 -1.388 0 O-C-N 121.578 -0.701 . . . . 0.0 110.098 179.93 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.67 -38.05 71.68 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.169 -0.957 . . . . 0.0 109.387 179.559 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.98 -12.34 48.9 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.824 -0.75 . . . . 0.0 109.056 178.324 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.967 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.97 -28.77 10.88 Favored 'General case' 0 N--CA 1.481 1.117 0 O-C-N 121.417 -0.802 . . . . 0.0 109.78 -179.913 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.446 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -78.3 -49.38 13.77 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.428 -0.795 . . . . 0.0 110.186 -179.918 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.1 -27.59 8.65 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.375 -0.828 . . . . 0.0 110.082 179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.466 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . . . -68.84 -35.64 77.2 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 121.421 -0.799 . . . . 0.0 109.928 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.514 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.5 m-30 -77.12 -9.55 58.82 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.31 -0.869 . . . . 0.0 110.356 179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -114.54 -42.01 3.35 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.277 -0.889 . . . . 0.0 110.839 -179.351 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -94.12 -24.13 17.68 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.258 -0.902 . . . . 0.0 111.407 -178.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' HB2' ' HA ' ' A' ' 10' ' ' ALA . 0.3 OUTLIER -90.2 23.44 2.88 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.187 -0.946 . . . . 0.0 110.707 -179.814 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.504 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -61.81 -54.67 39.04 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.157 -0.965 . . . . 0.0 109.925 179.564 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.439 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 168.51 -13.47 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.002 0 CA-C-O 121.304 0.573 . . . . 0.0 109.889 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 15' ' ' LYS . 1.8 m-85 -50.95 -52.93 37.51 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.424 -0.798 . . . . 0.0 110.402 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.805 -1.81 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.209 0.528 . . . . 0.0 110.137 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.19 123.12 43.24 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.357 -0.839 . . . . 0.0 110.236 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.3 t -136.71 42.14 2.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.405 -0.809 . . . . 0.0 110.337 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.885 ' HA ' HD23 ' A' ' 7' ' ' LEU . 4.6 mm? -83.56 -52.55 6.37 Favored 'General case' 0 C--N 1.304 -1.372 0 O-C-N 121.454 -0.779 . . . . 0.0 109.751 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.39 -35.56 70.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.258 -0.901 . . . . 0.0 109.221 179.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.53 -13.67 53.68 Favored 'General case' 0 C--N 1.304 -1.376 0 C-N-CA 119.772 -0.771 . . . . 0.0 108.931 178.168 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.885 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.03 -27.72 13.72 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 121.42 -0.8 . . . . 0.0 109.664 179.842 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.471 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 13.0 ttp -82.58 -54.9 4.81 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.527 -0.733 . . . . 0.0 109.917 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.98 -27.67 14.14 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.454 -0.779 . . . . 0.0 109.985 179.643 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.439 ' HA ' ' CB ' ' A' ' 14' ' ' LEU . . . -62.09 -40.14 94.85 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.511 -0.743 . . . . 0.0 109.869 179.59 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.651 ' CE2' HD12 ' A' ' 7' ' ' LEU . 5.3 m-30 -78.63 -14.8 59.13 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.387 -0.821 . . . . 0.0 110.122 179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.439 ' O ' ' CZ ' ' A' ' 17' ' ' PHE . 2.5 tt0 -98.43 -44.97 6.3 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.395 -0.815 . . . . 0.0 110.816 -179.247 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.3 -18.46 13.26 Favored 'General case' 0 N--CA 1.488 1.441 0 O-C-N 121.139 -0.976 . . . . 0.0 111.266 -179.324 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.439 ' CB ' ' HA ' ' A' ' 10' ' ' ALA . 4.5 tp -109.68 29.39 7.63 Favored 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.254 -0.904 . . . . 0.0 110.665 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 4.7 tmtm? -74.41 -50.58 17.92 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.372 -0.83 . . . . 0.0 110.133 179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 173.48 -29.71 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 CA-C-O 121.584 0.707 . . . . 0.0 109.177 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 15' ' ' LYS . 0.2 OUTLIER -73.82 56.84 0.58 Allowed 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.779 -0.575 . . . . 0.0 110.511 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.729 -1.857 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.159 0.504 . . . . 0.0 110.129 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -101.73 51.33 0.84 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.371 -0.83 . . . . 0.0 110.232 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 7.8 p -106.75 45.24 0.99 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.392 -0.817 . . . . 0.0 110.298 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.955 ' HA ' HD23 ' A' ' 7' ' ' LEU . 2.5 pp -60.64 -48.36 82.14 Favored 'General case' 0 N--CA 1.486 1.352 0 O-C-N 121.365 -0.834 . . . . 0.0 110.405 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.695 ' N ' HD12 ' A' ' 4' ' ' LEU . 2.6 tt0 -62.67 -35.47 79.78 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.137 -0.977 . . . . 0.0 108.901 179.284 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.33 -13.91 59.61 Favored 'General case' 0 C--N 1.304 -1.399 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 178.118 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.955 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -97.52 -24.45 15.56 Favored 'General case' 0 N--CA 1.484 1.239 0 O-C-N 121.483 -0.761 . . . . 0.0 109.728 179.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.422 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -87.77 -56.75 3.21 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.489 -0.757 . . . . 0.0 109.707 179.887 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.85 -25.69 12.35 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.547 -0.721 . . . . 0.0 109.777 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.42 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . . . -67.85 -39.11 83.86 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 110.04 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.712 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.4 m-30 -74.14 -14.21 60.93 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.385 -0.822 . . . . 0.0 110.467 -179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -108.09 -43.28 4.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.241 -0.912 . . . . 0.0 110.462 -179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.8 t -90.01 -30.86 17.48 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.404 -0.81 . . . . 0.0 110.601 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -98.49 47.2 0.99 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.472 -0.768 . . . . 0.0 110.225 -179.909 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.469 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 6.8 tttm -83.07 -56.71 3.64 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.389 -0.82 . . . . 0.0 110.542 -179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.89 -11.19 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.479 -0.763 . . . . 0.0 110.548 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.469 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 2.3 m-85 -39.14 107.74 0.07 Allowed 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.585 -0.697 . . . . 0.0 110.921 -179.491 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 ttt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.202 0.525 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.67 136.64 6.27 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.302 -0.874 . . . . 0.0 110.179 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.44 HG23 ' HD2' ' A' ' 6' ' ' LYS . 12.7 m -121.0 44.27 2.56 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.318 -0.864 . . . . 0.0 110.219 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.93 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -81.34 -54.3 5.6 Favored 'General case' 0 N--CA 1.487 1.41 0 O-C-N 121.423 -0.798 . . . . 0.0 110.161 179.882 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -56.75 -36.36 69.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.068 -1.02 . . . . 0.0 109.422 179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' HD2' HG23 ' A' ' 3' ' ' THR . 11.0 mttm -64.82 -13.23 55.05 Favored 'General case' 0 C--N 1.303 -1.447 0 C-N-CA 119.734 -0.787 . . . . 0.0 109.019 178.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.93 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -99.79 -27.01 13.84 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 121.379 -0.825 . . . . 0.0 109.802 179.956 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.444 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.3 OUTLIER -83.82 -54.96 4.52 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.465 -0.772 . . . . 0.0 110.185 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.98 -22.16 14.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.394 -0.816 . . . . 0.0 110.274 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.482 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -69.89 -53.2 19.08 Favored 'General case' 0 N--CA 1.486 1.363 0 O-C-N 121.233 -0.917 . . . . 0.0 110.084 179.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.686 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.4 m-30 -56.8 -21.44 28.79 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.164 -0.96 . . . . 0.0 110.61 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.454 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 0.1 OUTLIER -101.99 -46.65 4.81 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.326 -0.859 . . . . 0.0 110.255 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.7 m -75.09 -34.81 61.78 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.425 -0.797 . . . . 0.0 110.845 -179.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 7.8 tt -60.17 -19.92 56.16 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.458 -0.776 . . . . 0.0 110.383 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.484 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 1.0 OUTLIER -67.56 -60.66 2.38 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.277 -0.89 . . . . 0.0 109.946 179.727 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 0.4 OUTLIER 169.2 -26.91 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.98 0 CA-C-O 121.682 0.753 . . . . 0.0 109.422 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.484 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 2.7 p90 -98.32 -167.77 1.55 Allowed 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.783 -0.573 . . . . 0.0 110.109 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.886 -1.759 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mmt . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.117 0.484 . . . . 0.0 110.178 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.14 65.62 0.24 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.351 -0.843 . . . . 0.0 110.302 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.436 HG23 ' HE2' ' A' ' 6' ' ' LYS . 5.1 m -123.81 41.38 3.5 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.325 -0.859 . . . . 0.0 110.161 179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.991 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -88.23 -49.05 7.24 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.466 -0.771 . . . . 0.0 109.922 179.707 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -57.76 -38.54 75.58 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.127 -0.983 . . . . 0.0 109.405 179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HE2' HG23 ' A' ' 3' ' ' THR . 1.8 ttpt -63.69 -13.84 46.66 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.49 -0.756 . . . . 0.0 109.161 178.383 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.991 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -100.71 -27.69 13.23 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 121.445 -0.784 . . . . 0.0 109.959 -179.896 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.45 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 6.3 ttp -81.84 -61.33 1.95 Allowed 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.348 -0.845 . . . . 0.0 110.238 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.56 -25.96 11.97 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.44 -0.787 . . . . 0.0 110.121 179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . . . -63.17 -40.65 98.14 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 109.881 179.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.689 ' CE2' HD12 ' A' ' 7' ' ' LEU . 8.3 m-30 -76.33 -15.33 60.0 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.345 -0.847 . . . . 0.0 110.17 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -101.17 -44.78 5.58 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.324 -0.86 . . . . 0.0 110.912 -179.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.17 -29.42 13.6 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.22 -0.925 . . . . 0.0 110.917 -179.214 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD22 ' HA ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -96.38 29.95 2.7 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.367 -0.833 . . . . 0.0 110.589 -179.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.465 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 2.6 tmtt? -69.27 -42.91 74.92 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.326 -0.859 . . . . 0.0 109.918 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.68 -31.04 0.0 OUTLIER 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 121.858 0.837 . . . . 0.0 108.898 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.465 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 0.3 OUTLIER -80.58 179.84 7.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.894 -0.503 . . . . 0.0 110.136 179.732 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.327 0 O-C-N 119.869 -1.769 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mpt? . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.234 0.54 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.49 -65.07 1.23 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.405 -0.809 . . . . 0.0 110.173 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.6 m 52.4 44.26 30.06 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.374 -0.829 . . . . 0.0 110.486 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.887 ' HA ' HD23 ' A' ' 7' ' ' LEU . 13.3 mt -83.78 -55.12 4.43 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.367 -0.833 . . . . 0.0 110.082 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.53 -36.05 68.79 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.194 -0.941 . . . . 0.0 109.268 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -63.18 -14.58 50.6 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.688 -0.805 . . . . 0.0 108.917 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.887 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -95.29 -25.55 16.29 Favored 'General case' 0 N--CA 1.483 1.208 0 O-C-N 121.45 -0.781 . . . . 0.0 109.517 179.615 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.437 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.0 OUTLIER -90.76 -47.88 7.37 Favored 'General case' 0 N--CA 1.486 1.356 0 O-C-N 121.531 -0.731 . . . . 0.0 110.127 179.855 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.67 -25.56 11.24 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.337 -0.852 . . . . 0.0 110.178 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.441 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -73.53 -38.25 65.35 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.358 -0.839 . . . . 0.0 110.402 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.675 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.7 m-30 -69.13 -11.54 60.88 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.056 -1.027 . . . . 0.0 110.602 -179.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -121.19 -40.78 2.57 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.243 -0.91 . . . . 0.0 110.761 -179.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.412 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 5.2 m -80.88 -25.46 37.57 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.457 -0.777 . . . . 0.0 111.407 -178.69 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.441 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 56.7 tp -51.59 -69.68 0.11 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 121.295 -0.878 . . . . 0.0 110.335 -179.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.44 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 7.6 tttt -133.05 -29.15 1.47 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.248 -0.908 . . . . 0.0 110.709 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.32 -15.28 23.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 0.0 110.961 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.44 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 30.0 p90 -50.55 139.82 15.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.126 -0.984 . . . . 0.0 110.635 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.356 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.8 mtm . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.14 0.495 . . . . 0.0 110.254 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.16 -47.23 0.07 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.386 -0.821 . . . . 0.0 110.31 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 60.9 p 44.19 43.44 5.77 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.592 -0.692 . . . . 0.0 110.754 -179.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.998 ' HA ' HD23 ' A' ' 7' ' ' LEU . 12.9 mt -70.43 -51.88 26.25 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.503 -0.748 . . . . 0.0 110.132 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -57.35 -37.66 72.93 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.095 -1.003 . . . . 0.0 109.351 179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.02 -12.91 55.74 Favored 'General case' 0 C--N 1.303 -1.426 0 C-N-CA 119.742 -0.783 . . . . 0.0 109.181 178.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.998 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -102.53 -24.7 13.78 Favored 'General case' 0 N--CA 1.483 1.198 0 O-C-N 121.467 -0.77 . . . . 0.0 110.074 -179.778 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 8.8 ttt -84.39 -55.48 4.13 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.343 -0.848 . . . . 0.0 110.059 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -24.89 7.98 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.434 -0.791 . . . . 0.0 109.925 179.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.402 ' HA ' ' HB2' ' A' ' 14' ' ' LEU . . . -67.72 -40.37 84.24 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 121.413 -0.804 . . . . 0.0 110.137 179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.658 ' CE2' HD12 ' A' ' 7' ' ' LEU . 11.8 m-30 -73.23 -15.12 61.44 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.408 -0.808 . . . . 0.0 110.485 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -106.57 -43.31 4.77 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.134 -0.979 . . . . 0.0 110.45 -179.504 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.3 t -99.82 -21.96 15.53 Favored 'General case' 0 N--CA 1.487 1.392 0 O-C-N 121.358 -0.839 . . . . 0.0 110.94 -179.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.402 ' HB2' ' HA ' ' A' ' 10' ' ' ALA . 0.4 OUTLIER -113.47 41.09 2.23 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.325 -0.859 . . . . 0.0 110.511 -179.862 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 17' ' ' PHE . 0.6 OUTLIER -73.51 -43.14 60.73 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.286 -0.884 . . . . 0.0 110.078 179.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 171.18 -12.78 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.753 -0.592 . . . . 0.0 110.089 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.449 ' CZ ' ' HB3' ' A' ' 15' ' ' LYS . 2.1 m-85 -46.1 -64.12 0.82 Allowed 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.543 -0.723 . . . . 0.0 110.527 -179.544 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.371 0 O-C-N 119.909 -1.744 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.9 mtp . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.158 0.504 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.81 54.93 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.358 -0.839 . . . . 0.0 110.344 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 5.9 t -123.63 41.67 3.42 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.353 -0.842 . . . . 0.0 110.241 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.951 ' HA ' HD23 ' A' ' 7' ' ' LEU . 5.2 mp -84.21 -52.71 6.04 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.491 -0.756 . . . . 0.0 109.963 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -56.46 -37.47 70.36 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.136 -0.978 . . . . 0.0 109.321 179.428 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.53 -14.14 38.66 Favored 'General case' 0 C--N 1.306 -1.289 0 O-C-N 121.399 -0.813 . . . . 0.0 109.0 178.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.951 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.3 OUTLIER -97.93 -26.78 14.54 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.373 -0.829 . . . . 0.0 109.735 179.8 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.467 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -88.83 -43.77 10.99 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.407 -0.808 . . . . 0.0 110.356 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.419 ' O ' ' CB ' ' A' ' 13' ' ' SER . 0.0 OUTLIER -52.21 -24.66 7.56 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.361 -0.837 . . . . 0.0 110.288 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -70.71 -45.28 65.22 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 121.246 -0.909 . . . . 0.0 110.141 179.808 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.539 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.4 m-85 -60.24 -19.72 55.78 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.216 -0.927 . . . . 0.0 110.541 -179.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.43 ' HA ' ' CB ' ' A' ' 16' ' ' SER . 3.7 mt-10 -110.59 -42.34 4.1 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.327 -0.858 . . . . 0.0 110.604 -179.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' A' ' 9' ' ' LYS . 8.1 t -76.66 -28.63 56.05 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.488 -0.757 . . . . 0.0 111.029 -178.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 14.4 tp -54.39 -66.87 0.32 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.278 -0.889 . . . . 0.0 110.508 -179.711 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.483 ' HA ' ' CE2' ' A' ' 17' ' ' PHE . 0.8 OUTLIER -127.38 -31.03 2.56 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.271 -0.893 . . . . 0.0 110.96 -179.631 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.43 ' CB ' ' HA ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -60.86 -14.94 25.23 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.251 -0.906 . . . . 0.0 111.086 -179.543 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.483 ' CE2' ' HA ' ' A' ' 15' ' ' LYS . 24.9 p90 -52.96 145.59 12.55 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.101 -0.999 . . . . 0.0 110.588 -179.731 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 119.81 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.306 0.574 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.96 93.19 8.0 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.334 -0.854 . . . . 0.0 110.279 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 14.8 p -106.4 43.96 1.1 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.327 -0.858 . . . . 0.0 110.137 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.936 ' HA ' HD23 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -73.7 -51.52 16.35 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.456 -0.778 . . . . 0.0 109.939 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.32 -37.79 73.05 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.012 -1.055 . . . . 0.0 109.311 179.489 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -64.31 -13.22 48.7 Favored 'General case' 0 C--N 1.304 -1.396 0 C-N-CA 119.744 -0.782 . . . . 0.0 108.922 178.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.936 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -104.4 -28.34 11.41 Favored 'General case' 0 N--CA 1.479 1.01 0 O-C-N 121.407 -0.808 . . . . 0.0 109.661 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.424 ' N ' ' HG ' ' A' ' 7' ' ' LEU . 9.1 tpt -76.28 -51.01 12.87 Favored 'General case' 0 N--CA 1.488 1.433 0 O-C-N 121.439 -0.788 . . . . 0.0 110.043 179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -53.3 -22.4 7.09 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.408 -0.808 . . . . 0.0 110.452 179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.455 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -69.39 -56.45 7.43 Favored 'General case' 0 N--CA 1.486 1.36 0 O-C-N 121.233 -0.917 . . . . 0.0 110.019 179.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.482 ' CE2' HD12 ' A' ' 7' ' ' LEU . 10.6 m-30 -53.87 -20.85 6.51 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.202 -0.936 . . . . 0.0 110.918 -179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' O ' ' CE1' ' A' ' 17' ' ' PHE . 1.9 mt-10 -104.98 -43.51 5.04 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.269 -0.894 . . . . 0.0 110.674 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.1 t -83.67 -27.52 29.01 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.211 -0.931 . . . . 0.0 111.411 -178.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.877 ' O ' HD13 ' A' ' 14' ' ' LEU . 3.3 tm? -56.62 -27.5 58.42 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.168 -0.957 . . . . 0.0 109.866 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.492 ' CB ' ' CZ ' ' A' ' 17' ' ' PHE . 1.9 mmpt? -68.33 -63.18 1.11 Allowed 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.334 -0.854 . . . . 0.0 109.828 179.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 15' ' ' LYS . 2.9 t 169.55 -30.69 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.96 0 CA-C-O 121.729 0.776 . . . . 0.0 109.03 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.492 ' CZ ' ' CB ' ' A' ' 15' ' ' LYS . 4.2 p90 -91.87 149.15 21.72 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.929 -0.482 . . . . 0.0 110.321 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.319 0 O-C-N 119.849 -1.782 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 ptm . . . . . 0 N--CA 1.492 1.655 0 CA-C-O 121.183 0.516 . . . . 0.0 110.353 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.18 22.73 1.53 Allowed 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.332 -0.855 . . . . 0.0 110.412 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 6.8 t -171.19 45.28 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.178 -0.951 . . . . 0.0 110.139 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.906 ' HA ' HD23 ' A' ' 7' ' ' LEU . 3.7 mm? -79.72 -55.42 5.02 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.394 -0.817 . . . . 0.0 110.31 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -57.26 -35.06 69.29 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.061 -1.024 . . . . 0.0 109.318 179.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -66.45 -12.02 55.08 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.906 HD23 ' HA ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -106.05 -25.0 12.25 Favored 'General case' 0 N--CA 1.48 1.061 0 O-C-N 121.474 -0.766 . . . . 0.0 110.134 -179.658 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 9.4 ttm -81.64 -53.05 6.56 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.312 -0.868 . . . . 0.0 110.455 -179.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 22.8 mmmt -52.96 -23.9 8.22 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.229 -0.919 . . . . 0.0 110.337 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.448 ' O ' ' CB ' ' A' ' 14' ' ' LEU . . . -69.15 -40.84 77.96 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.222 -0.924 . . . . 0.0 110.032 179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . 0.544 ' CE2' HD12 ' A' ' 7' ' ' LEU . 12.0 m-30 -70.81 -15.23 62.64 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.156 -0.965 . . . . 0.0 110.473 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -108.97 -43.42 4.21 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.208 -0.933 . . . . 0.0 110.743 -179.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.92 -23.65 20.41 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.371 -0.83 . . . . 0.0 111.419 -178.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.6 OUTLIER -94.83 36.69 1.17 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.196 -0.94 . . . . 0.0 110.954 -179.488 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.456 ' HB3' ' CE2' ' A' ' 17' ' ' PHE . 7.7 tttm -72.44 -41.21 66.41 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.163 -0.961 . . . . 0.0 109.902 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.43 -31.93 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 CA-C-O 121.854 0.835 . . . . 0.0 108.756 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PHE . . . . . 0.456 ' CE2' ' HB3' ' A' ' 15' ' ' LYS . 0.7 OUTLIER -77.54 160.38 28.65 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.919 -0.488 . . . . 0.0 110.128 179.613 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.389 0 O-C-N 119.819 -1.801 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_