data_1f0h_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 1f0h _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' HG22 ' A' ' 10' ' ' ILE . 21.0 mt . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 121.281 0.562 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.28 -83.44 0.04 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -44.7 -31.26 1.12 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.726 -0.867 . . . . 0.0 110.174 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.139 -0.975 . . . . 0.0 109.805 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.86 -19.53 12.13 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.615 0.721 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -33.96 56.65 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.389 -0.819 . . . . 0.0 109.555 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 m -69.15 -21.94 63.97 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.805 0.812 . . . . 0.0 109.17 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.07 70.98 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.753 0.787 . . . . 0.0 108.982 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -14.53 61.52 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 119.671 -0.811 . . . . 0.0 108.93 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -22.12 31.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.643 -0.66 . . . . 0.0 110.462 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.501 HG22 HD11 ' A' ' 10' ' ' ILE . 13.2 mm . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.292 0.567 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.24 -60.65 3.47 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.92 4.57 32.87 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.797 -0.825 . . . . 0.0 110.349 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.479 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.1 t80 -58.58 -49.86 75.9 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.075 -1.016 . . . . 0.0 109.923 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.55 -16.97 11.58 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.344 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -81.94 -50.69 8.87 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.637 0.732 . . . . 0.0 109.951 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -61.37 -15.07 32.7 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.18 -37.23 38.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.885 0.85 . . . . 0.0 108.981 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -18.15 65.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -12.25 51.42 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.613 0.721 . . . . 0.0 109.774 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.299 -1.597 0 O-C-N 121.609 -0.682 . . . . 0.0 110.642 -179.485 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.519 HG23 ' CB ' ' A' ' 13' ' ' PHE . 23.0 mm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.288 0.566 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.65 -37.57 68.59 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -15.99 40.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.586 -0.95 . . . . 0.0 110.277 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CB ' HG23 ' A' ' 10' ' ' ILE . 16.2 t80 -56.49 -51.0 70.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.937 . . . . 0.0 109.539 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.01 -19.21 4.42 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.508 0.671 . . . . 0.0 109.765 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -83.51 -51.63 7.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.436 -0.79 . . . . 0.0 109.789 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -66.18 -22.64 66.36 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.745 0.783 . . . . 0.0 109.362 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.1 45.07 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -9.63 58.89 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.35 34.16 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.87 0.843 . . . . 0.0 109.004 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 . . . . . 0 C--N 1.298 -1.65 0 C-N-CA 120.214 -0.595 . . . . 0.0 109.974 179.707 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.428 HD12 HG23 ' A' ' 10' ' ' ILE . 9.9 mt . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.244 0.545 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.63 -26.54 3.94 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -80.22 -52.36 7.83 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.709 -0.877 . . . . 0.0 109.188 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.468 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 15.6 t80 -57.16 -45.36 83.68 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.342 1.067 . . . . 0.0 108.426 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -31.06 39.52 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.569 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -75.78 -48.69 20.68 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.815 0.817 . . . . 0.0 109.161 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -18.73 64.7 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.792 0.806 . . . . 0.0 109.056 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 13' ' ' PHE . . . -79.56 -33.12 42.06 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 108.807 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -75.14 -12.24 60.26 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -31.46 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.832 0.825 . . . . 0.0 109.777 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.297 -1.704 0 O-C-N 121.774 -0.579 . . . . 0.0 110.353 -179.729 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.434 HG21 ' HB3' ' A' ' 13' ' ' PHE . 9.7 mt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.244 0.545 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.02 -23.41 7.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -44.55 12.61 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.899 . . . . 0.0 109.966 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.434 ' HB3' HG21 ' A' ' 10' ' ' ILE . 2.8 t80 -57.47 -45.43 84.84 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 108.942 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.8 mt -58.44 -23.21 56.91 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.684 0.754 . . . . 0.0 109.461 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -85.09 -48.61 9.02 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.815 0.816 . . . . 0.0 109.703 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -63.75 -18.44 64.06 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.725 0.774 . . . . 0.0 109.278 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.32 32.03 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.952 0.882 . . . . 0.0 108.97 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 13.4 tttp -71.57 -17.11 62.32 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -86.78 -26.49 24.11 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.617 0.722 . . . . 0.0 110.3 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.297 -1.709 0 O-C-N 121.54 -0.725 . . . . 0.0 110.325 -179.438 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.405 ' O ' HD13 ' A' ' 14' ' ' LEU . 8.9 mt . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.419 0.628 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.87 -35.16 19.75 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.792 -0.828 . . . . 0.0 109.119 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 12.8 t80 -48.5 -67.39 0.27 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.776 0.798 . . . . 0.0 109.908 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -50.37 -22.46 1.85 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.77 0.795 . . . . 0.0 109.211 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.71 -50.01 11.24 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.734 0.778 . . . . 0.0 108.934 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -69.72 -16.99 63.43 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -77.12 -35.44 56.3 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -70.14 -14.36 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -33.25 51.27 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.88 0.848 . . . . 0.0 109.032 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.297 -1.7 0 O-C-N 121.815 -0.553 . . . . 0.0 109.882 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.271 0.558 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.76 -31.94 28.32 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -85.47 -12.14 52.57 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.577 -0.955 . . . . 0.0 109.571 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.93 -69.18 0.15 Allowed 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.764 0.792 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -51.55 -20.42 1.93 Allowed 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.591 0.71 . . . . 0.0 109.872 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -35.61 20.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.715 0.769 . . . . 0.0 110.552 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -61.59 -42.32 98.69 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.489 0.661 . . . . 0.0 110.576 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.51 70.17 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.859 0.837 . . . . 0.0 108.783 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 3.7 mtmm -72.75 -12.43 61.01 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -18.82 32.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.44 -0.788 . . . . 0.0 110.185 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.477 -0.765 . . . . 0.0 110.347 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 10' ' ' ILE . 7.8 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.225 0.536 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.33 -23.35 74.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -36.6 19.96 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.692 -0.887 . . . . 0.0 109.864 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.81 -45.41 94.53 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 121.813 0.816 . . . . 0.0 109.618 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.01 -31.99 72.43 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.773 0.797 . . . . 0.0 109.571 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.512 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -82.23 -37.7 25.6 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.832 0.825 . . . . 0.0 109.554 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -16.5 63.96 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-O 121.648 0.737 . . . . 0.0 109.419 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.48 -36.29 29.48 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.892 0.853 . . . . 0.0 108.903 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.512 ' HE3' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -71.18 -15.46 62.48 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 10.1 mmmm -85.96 -21.9 27.65 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.755 0.788 . . . . 0.0 109.99 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 . . . . . 0 C--N 1.296 -1.745 0 O-C-N 121.853 -0.529 . . . . 0.0 110.224 -179.119 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.409 ' O ' HD21 ' A' ' 14' ' ' LEU . 6.7 mm . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.38 0.609 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.53 -46.13 86.48 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 2.4 tttt -85.17 -24.6 27.86 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.84 -0.8 . . . . 0.0 109.66 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.454 ' O ' ' OG ' ' A' ' 16' ' ' SER . 46.3 t80 -50.25 -65.81 0.5 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.859 0.838 . . . . 0.0 110.045 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 15' ' ' HIS . 1.8 pp -49.33 -23.41 1.42 Allowed 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.679 0.752 . . . . 0.0 109.299 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 17.7 t-80 -73.78 -48.52 31.0 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.81 0.814 . . . . 0.0 109.233 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 13' ' ' PHE . 1.3 p -63.2 -15.76 58.02 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.674 0.75 . . . . 0.0 109.007 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.26 -42.65 22.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.94 0.876 . . . . 0.0 108.797 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -71.42 -21.18 62.02 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -86.45 -17.72 33.53 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.723 0.773 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 16' ' ' SER . 4.9 t80 . . . . . 0 C--N 1.299 -1.624 0 O-C-N 121.789 -0.569 . . . . 0.0 110.455 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.472 HG22 ' HB3' ' A' ' 13' ' ' PHE . 5.0 mt . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.169 0.509 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -46.03 -32.59 4.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -78.47 -42.92 28.43 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.451 -1.029 . . . . 0.0 109.77 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.472 ' HB3' HG22 ' A' ' 10' ' ' ILE . 19.5 t80 -44.57 -50.2 9.75 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.257 1.027 . . . . 0.0 109.335 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.37 -28.43 1.34 Allowed 'General case' 0 C--N 1.289 -2.024 0 CA-C-O 121.755 0.788 . . . . 0.0 109.374 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 12' ' ' LYS . 2.0 t-80 -85.54 -48.89 8.51 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.685 0.755 . . . . 0.0 109.892 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -21.4 66.28 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.635 0.731 . . . . 0.0 109.437 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.45 -30.32 47.43 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.0 tttp -73.22 -12.11 60.75 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -85.51 -39.43 17.46 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.905 0.86 . . . . 0.0 109.741 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.295 -1.802 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.835 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.54 HG21 ' CD1' ' A' ' 14' ' ' LEU . 4.4 mt . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.471 0.653 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -50.71 64.68 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -23.78 27.15 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.765 -0.844 . . . . 0.0 110.374 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -52.64 41.12 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.54 ' CD1' HG21 ' A' ' 10' ' ' ILE . 21.8 mt -63.35 -21.67 66.41 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.787 0.803 . . . . 0.0 109.295 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.48 -42.03 15.98 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.729 0.776 . . . . 0.0 109.561 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -12.25 61.02 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.11 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.65 -38.18 23.85 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.811 0.815 . . . . 0.0 109.03 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -17.89 63.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -18.16 31.55 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.588 0.708 . . . . 0.0 110.329 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.298 -1.635 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 -179.649 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mm . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.363 0.601 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.87 69.28 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 108.716 -1.753 . . . . 0.0 108.716 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -85.49 -34.63 21.54 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.761 -0.846 . . . . 0.0 109.881 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -49.92 -58.9 4.49 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.947 0.879 . . . . 0.0 109.865 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -52.5 -21.27 3.58 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.658 0.742 . . . . 0.0 109.595 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.5 -38.21 26.65 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.862 0.839 . . . . 0.0 109.329 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -26.26 62.37 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.84 0.829 . . . . 0.0 108.838 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.51 -38.07 62.92 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -16.71 64.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -86.2 -46.03 10.77 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.663 0.744 . . . . 0.0 110.296 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--N 1.296 -1.752 0 O-C-N 121.678 -0.639 . . . . 0.0 110.272 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.461 ' O ' HD12 ' A' ' 14' ' ' LEU . 42.9 mt . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.656 0.741 . . . . 0.0 110.247 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -19.24 32.18 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -86.08 -43.86 12.74 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.539 -0.977 . . . . 0.0 109.846 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.23 -54.39 44.02 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.252 -0.905 . . . . 0.0 109.15 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 10' ' ' ILE . 1.2 mp -55.26 -26.68 41.53 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.875 0.845 . . . . 0.0 109.043 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -71.46 -39.13 71.13 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.999 0.904 . . . . 0.0 108.851 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -63.0 -14.28 45.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.88 -49.4 14.3 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.707 0.765 . . . . 0.0 109.037 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.65 64.92 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -86.13 -18.6 31.87 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.702 0.763 . . . . 0.0 109.707 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 16' ' ' SER . 14.1 t80 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 1.1 mp . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.483 0.659 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.2 53.4 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -76.13 -2.4 30.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.882 -0.775 . . . . 0.0 109.741 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.479 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.7 t80 -61.93 -53.44 55.64 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.233 -0.917 . . . . 0.0 109.79 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.46 -21.12 9.0 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.799 0.809 . . . . 0.0 109.159 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.02 -51.28 9.81 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.856 0.836 . . . . 0.0 109.03 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.0 m -62.0 -13.86 29.84 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.49 -42.91 28.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.72 0.771 . . . . 0.0 109.06 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -13.8 60.88 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -22.72 28.09 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.725 0.774 . . . . 0.0 109.58 179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.585 -0.697 . . . . 0.0 110.246 -179.861 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 16.2 mt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.362 0.601 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -59.82 -71.46 0.77 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -62.36 -10.1 10.22 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.713 -0.875 . . . . 0.0 110.531 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -58.59 -62.71 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.082 -1.011 . . . . 0.0 110.027 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -52.99 -20.67 3.61 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.301 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -71.09 -36.88 72.39 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 122.072 0.939 . . . . 0.0 108.829 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 t -61.97 -26.53 68.26 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.648 0.737 . . . . 0.0 109.271 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -69.77 -37.88 76.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.799 0.809 . . . . 0.0 108.878 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -12.12 60.22 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -84.71 -23.1 29.49 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 121.718 0.77 . . . . 0.0 109.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.2 t80 . . . . . 0 C--N 1.298 -1.645 0 O-C-N 121.737 -0.602 . . . . 0.0 110.364 -179.47 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 HG21 ' A' ' 10' ' ' ILE . 5.3 mm . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.346 0.593 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.98 -25.08 69.09 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 11.1 tptm -85.47 -34.59 21.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.688 -0.889 . . . . 0.0 109.797 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.89 -65.55 0.54 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.305 -0.872 . . . . 0.0 109.889 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 15' ' ' HIS . 1.8 pp -55.5 -18.99 8.32 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.759 0.79 . . . . 0.0 109.279 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.405 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 7.8 t-80 -79.8 -41.1 27.18 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.762 0.792 . . . . 0.0 109.7 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -18.39 63.62 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.561 0.696 . . . . 0.0 109.713 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.3 -40.02 27.63 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.895 0.855 . . . . 0.0 108.929 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -69.55 -15.0 63.14 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -17.33 36.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.628 -0.67 . . . . 0.0 109.981 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.3 -1.569 0 O-C-N 121.457 -0.777 . . . . 0.0 110.109 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.469 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 7.3 mt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.448 0.642 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.67 -67.75 1.95 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -81.97 6.97 14.33 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.647 -0.913 . . . . 0.0 110.234 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.469 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -75.03 -41.75 58.61 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.169 -0.957 . . . . 0.0 109.456 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 15' ' ' HIS . 4.1 pp -63.08 -21.11 65.95 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 121.774 0.797 . . . . 0.0 109.295 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.459 ' N ' HD11 ' A' ' 14' ' ' LEU . 4.0 t-80 -85.16 -47.92 9.65 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.856 0.836 . . . . 0.0 109.359 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -18.51 64.36 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.72 0.771 . . . . 0.0 108.936 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.24 47.11 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -73.27 -11.33 60.46 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -28.42 24.99 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.729 0.776 . . . . 0.0 109.871 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--N 1.296 -1.751 0 O-C-N 121.738 -0.601 . . . . 0.0 110.48 -179.529 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 49.0 mt . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.424 0.631 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -45.11 -76.82 0.11 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 3.2 mtmm -47.06 -27.28 1.29 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.843 -0.798 . . . . 0.0 110.896 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 6.8 t80 -52.77 -60.98 2.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.034 -1.042 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -19.88 4.15 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.709 0.766 . . . . 0.0 109.361 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 8.3 t-80 -79.3 -47.01 16.61 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.787 0.803 . . . . 0.0 110.065 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -18.2 58.61 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.586 0.708 . . . . 0.0 109.674 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . -79.39 -38.42 34.92 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.974 0.892 . . . . 0.0 108.686 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -66.91 -18.51 65.42 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -46.48 10.41 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.757 0.789 . . . . 0.0 110.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' A' ' 17' ' ' ALA . 3.9 t80 . . . . . 0 C--N 1.295 -1.784 0 O-C-N 121.713 -0.617 . . . . 0.0 110.097 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 10' ' ' ILE . 8.9 mt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.468 0.651 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.75 -70.16 1.08 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' HD3' ' OG ' ' A' ' 16' ' ' SER . 2.0 tmtt? -56.16 -20.17 16.62 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.766 -0.844 . . . . 0.0 109.573 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -63.99 -48.04 77.95 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 121.989 0.9 . . . . 0.0 109.36 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.53 -35.19 65.38 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.77 0.795 . . . . 0.0 109.769 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -42.07 23.01 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.801 0.81 . . . . 0.0 109.751 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.404 ' OG ' ' HD3' ' A' ' 12' ' ' LYS . 57.9 m -65.08 -17.31 64.35 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.684 0.754 . . . . 0.0 109.394 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.65 -42.85 27.6 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.73 0.776 . . . . 0.0 109.191 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -16.35 62.44 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.75 20.34 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.634 0.73 . . . . 0.0 110.26 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.295 -1.775 0 O-C-N 121.709 -0.619 . . . . 0.0 110.383 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 30.1 mt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.302 0.573 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . 0.419 ' O ' HD11 ' A' ' 14' ' ' LEU . . . -50.19 -84.32 0.02 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -14.42 6.71 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.861 . . . . 0.0 110.576 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' PHE . . . . . 0.506 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.9 t80 -56.63 -38.76 72.54 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.104 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 10' ' ' ILE . 1.1 mt -54.03 -25.81 23.24 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.825 0.821 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.78 -46.35 65.97 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.987 0.899 . . . . 0.0 109.459 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -14.14 33.64 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.374 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.47 -38.78 29.3 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.873 0.844 . . . . 0.0 109.156 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -69.92 -17.87 63.35 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.714 0.768 . . . . 0.0 108.99 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -18.21 32.92 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.6 0.714 . . . . 0.0 109.904 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.298 -1.634 0 O-C-N 121.552 -0.718 . . . . 0.0 110.261 -179.401 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.232 0.539 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.73 99.24 2.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 0.0 110.552 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -137.25 95.7 3.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.403 -0.811 . . . . 0.0 109.426 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -158.44 20.66 0.23 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.301 -0.874 . . . . 0.0 110.679 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.18 76.64 0.52 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.193 -0.942 . . . . 0.0 110.229 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -143.98 13.64 1.67 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.257 -0.902 . . . . 0.0 109.569 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.37 142.93 37.54 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.355 -0.938 . . . . 0.0 111.524 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.517 HD11 HG22 ' A' ' 8' ' ' ILE . 4.0 mt -130.35 -4.88 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.555 -0.715 . . . . 0.0 110.289 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.78 17.59 51.93 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.471 ' O ' HG22 ' A' ' 10' ' ' ILE . 21.0 mt -81.67 -5.11 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.08 -1.247 . . . . 0.0 110.425 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.28 -83.44 0.04 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -44.7 -31.26 1.12 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.726 -0.867 . . . . 0.0 110.174 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.139 -0.975 . . . . 0.0 109.805 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.86 -19.53 12.13 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.615 0.721 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -33.96 56.65 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.389 -0.819 . . . . 0.0 109.555 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 m -69.15 -21.94 63.97 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.805 0.812 . . . . 0.0 109.17 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.07 70.98 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.753 0.787 . . . . 0.0 108.982 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -14.53 61.52 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 119.671 -0.811 . . . . 0.0 108.93 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -22.12 31.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.643 -0.66 . . . . 0.0 110.462 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.92 56.46 0.63 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.713 -1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.195 0.521 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.46 169.56 1.67 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.207 -0.933 . . . . 0.0 109.983 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.87 71.27 1.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.01 . . . . 0.0 110.705 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.32 27.03 4.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.137 -0.977 . . . . 0.0 110.13 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -83.57 86.63 7.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.183 -0.948 . . . . 0.0 110.544 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 2.6 tttt -130.82 15.98 5.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.334 -0.854 . . . . 0.0 109.823 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' HB3' ' HE3' ' A' ' 7' ' ' LYS . 22.9 ttpp -170.11 52.62 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 110.634 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.3 mt -136.55 -22.86 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.154 -0.966 . . . . 0.0 111.39 -179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.86 -16.32 7.47 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.501 HG22 HD11 ' A' ' 10' ' ' ILE . 13.2 mm -91.38 -6.02 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.26 -1.141 . . . . 0.0 110.389 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.24 -60.65 3.47 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.92 4.57 32.87 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.797 -0.825 . . . . 0.0 110.349 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.479 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.1 t80 -58.58 -49.86 75.9 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.075 -1.016 . . . . 0.0 109.923 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.55 -16.97 11.58 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.344 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -81.94 -50.69 8.87 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.637 0.732 . . . . 0.0 109.951 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -61.37 -15.07 32.7 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.18 -37.23 38.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.885 0.85 . . . . 0.0 108.981 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -18.15 65.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -12.25 51.42 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.613 0.721 . . . . 0.0 109.774 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -86.28 47.67 1.5 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.609 -0.682 . . . . 0.0 110.642 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.295 0.569 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' O ' ' HB2' ' A' ' 3' ' ' LYS . . . 53.48 86.63 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.232 -0.917 . . . . 0.0 110.184 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.467 ' HB2' ' O ' ' A' ' 2' ' ' ALA . 5.6 tptt 177.22 130.56 0.05 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.251 -0.906 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.428 ' HB3' ' O ' ' A' ' 3' ' ' LYS . 0.7 OUTLIER -176.75 43.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.123 -0.986 . . . . 0.0 110.635 -179.76 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 5' ' ' PHE . 77.3 t80 -87.5 61.91 6.82 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.089 -1.007 . . . . 0.0 110.328 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.74 22.23 0.52 Allowed 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.41 110.58 0.39 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -129.88 -6.01 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.913 . . . . 0.0 110.542 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.42 103.48 1.94 Allowed Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.519 HG23 ' CB ' ' A' ' 13' ' ' PHE . 23.0 mm -81.72 -5.26 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.466 -1.02 . . . . 0.0 110.423 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.65 -37.57 68.59 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -15.99 40.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.586 -0.95 . . . . 0.0 110.277 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.519 ' CB ' HG23 ' A' ' 10' ' ' ILE . 16.2 t80 -56.49 -51.0 70.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.937 . . . . 0.0 109.539 179.512 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.01 -19.21 4.42 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.508 0.671 . . . . 0.0 109.765 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -83.51 -51.63 7.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.436 -0.79 . . . . 0.0 109.789 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -66.18 -22.64 66.36 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.745 0.783 . . . . 0.0 109.362 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.1 45.07 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -9.63 58.89 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.35 34.16 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.87 0.843 . . . . 0.0 109.004 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -117.03 150.51 38.5 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 120.214 -0.595 . . . . 0.0 109.974 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.777 -1.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.213 0.53 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 1' ' ' LYS . . . 67.87 122.03 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.216 -0.927 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -137.42 116.3 12.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -175.53 29.69 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.247 -0.908 . . . . 0.0 110.22 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -61.3 79.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.171 -0.956 . . . . 0.0 110.207 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 4' ' ' LEU . 24.2 mttt -151.35 16.84 0.73 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.591 -0.693 . . . . 0.0 109.624 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.418 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -143.31 100.02 3.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.312 -0.867 . . . . 0.0 110.825 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.486 HD11 HG22 ' A' ' 8' ' ' ILE . 1.1 mt -137.48 -101.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.39 -0.819 . . . . 0.0 110.058 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 143.05 -7.95 2.15 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.294 179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.428 HD12 HG23 ' A' ' 10' ' ' ILE . 9.9 mt -94.23 -6.38 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.009 -1.289 . . . . 0.0 110.426 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.63 -26.54 3.94 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -80.22 -52.36 7.83 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.709 -0.877 . . . . 0.0 109.188 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.468 ' O ' ' HB1' ' A' ' 17' ' ' ALA . 15.6 t80 -57.16 -45.36 83.68 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.342 1.067 . . . . 0.0 108.426 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -31.06 39.52 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.569 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -75.78 -48.69 20.68 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.815 0.817 . . . . 0.0 109.161 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -18.73 64.7 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.792 0.806 . . . . 0.0 109.056 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' A' ' 13' ' ' PHE . . . -79.56 -33.12 42.06 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 108.807 178.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -75.14 -12.24 60.26 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -31.46 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.832 0.825 . . . . 0.0 109.777 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -99.66 136.84 38.98 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.774 -0.579 . . . . 0.0 110.353 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 3' ' ' LYS . 4.1 mttt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.225 0.536 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.82 80.34 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.204 -0.935 . . . . 0.0 110.241 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 1' ' ' LYS . 31.8 mttt -149.56 132.41 16.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.176 -0.952 . . . . 0.0 110.342 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.507 ' O ' ' N ' ' A' ' 6' ' ' LYS . 1.6 pt? -149.63 48.61 0.95 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.0 110.051 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.575 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 61.9 t80 -64.09 72.53 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.33 -0.856 . . . . 0.0 110.136 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -136.95 8.43 2.99 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.481 -0.762 . . . . 0.0 109.943 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.56 83.36 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.92 . . . . 0.0 110.737 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.513 HD13 HG22 ' A' ' 8' ' ' ILE . 3.1 mt -129.0 -3.66 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.173 -0.955 . . . . 0.0 110.281 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.17 2.24 4.23 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.575 HD11 ' CZ ' ' A' ' 5' ' ' PHE . 9.7 mt -68.69 -6.77 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.077 -1.249 . . . . 0.0 110.067 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.02 -23.41 7.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -44.55 12.61 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.899 . . . . 0.0 109.966 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.434 ' HB3' HG21 ' A' ' 10' ' ' ILE . 2.8 t80 -57.47 -45.43 84.84 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 108.942 179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 75.8 mt -58.44 -23.21 56.91 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.684 0.754 . . . . 0.0 109.461 179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -85.09 -48.61 9.02 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.815 0.816 . . . . 0.0 109.703 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -63.75 -18.44 64.06 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.725 0.774 . . . . 0.0 109.278 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.32 32.03 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.952 0.882 . . . . 0.0 108.97 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 13.4 tttp -71.57 -17.11 62.32 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -86.78 -26.49 24.11 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.617 0.722 . . . . 0.0 110.3 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -113.78 38.58 2.92 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.54 -0.725 . . . . 0.0 110.325 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.932 -1.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.247 0.546 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.23 119.92 20.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.207 -0.933 . . . . 0.0 110.076 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -164.19 53.57 0.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 0.0 110.081 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.487 ' CD1' ' O ' ' A' ' 4' ' ' LEU . 1.8 pp -152.02 46.1 0.76 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.317 -0.864 . . . . 0.0 110.107 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 6.6 m-30 -55.72 116.43 2.92 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.271 -0.893 . . . . 0.0 110.109 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -129.82 2.46 4.89 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.456 -0.778 . . . . 0.0 109.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.95 43.9 1.57 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 0.0 110.38 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 mt -131.96 -4.68 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.533 -0.729 . . . . 0.0 110.463 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.15 -17.12 78.72 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.405 ' O ' HD13 ' A' ' 14' ' ' LEU . 8.9 mt -100.06 -10.65 8.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.547 -0.972 . . . . 0.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.87 -35.16 19.75 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.792 -0.828 . . . . 0.0 109.119 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 12.8 t80 -48.5 -67.39 0.27 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.776 0.798 . . . . 0.0 109.908 179.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 HD13 ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -50.37 -22.46 1.85 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.77 0.795 . . . . 0.0 109.211 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.71 -50.01 11.24 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.734 0.778 . . . . 0.0 108.934 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -69.72 -16.99 63.43 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.415 ' HB2' ' O ' ' A' ' 13' ' ' PHE . . . -77.12 -35.44 56.3 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.766 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -70.14 -14.36 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -33.25 51.27 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.88 0.848 . . . . 0.0 109.032 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.83 115.21 25.11 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.815 -0.553 . . . . 0.0 109.882 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.219 0.533 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.85 82.58 2.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.26 -0.9 . . . . 0.0 110.377 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 3' ' ' LYS . 2.3 pttp -133.55 46.13 2.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.284 -0.885 . . . . 0.0 109.999 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 3' ' ' LYS . 11.6 mt -141.94 37.31 1.6 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.544 -0.723 . . . . 0.0 109.381 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.88 95.59 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.577 -0.702 . . . . 0.0 110.726 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.442 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -134.4 7.7 3.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.436 -0.79 . . . . 0.0 109.635 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.442 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -176.95 -172.78 0.43 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.444 -0.785 . . . . 0.0 110.04 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.76 -3.65 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 110.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.93 42.68 2.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.98 -4.19 9.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.711 -0.876 . . . . 0.0 110.677 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.76 -31.94 28.32 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -85.47 -12.14 52.57 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.577 -0.955 . . . . 0.0 109.571 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.93 -69.18 0.15 Allowed 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.764 0.792 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.448 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -51.55 -20.42 1.93 Allowed 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.591 0.71 . . . . 0.0 109.872 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -35.61 20.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.715 0.769 . . . . 0.0 110.552 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -61.59 -42.32 98.69 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.489 0.661 . . . . 0.0 110.576 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.51 70.17 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.859 0.837 . . . . 0.0 108.783 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 3.7 mtmm -72.75 -12.43 61.01 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -18.82 32.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.44 -0.788 . . . . 0.0 110.185 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -109.45 109.36 20.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.477 -0.765 . . . . 0.0 110.347 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 5.3 mttp . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.317 0.58 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . -179.35 81.83 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 110.259 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.0 165.13 29.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.913 . . . . 0.0 110.204 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -131.76 0.15 3.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.177 -0.952 . . . . 0.0 110.121 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.06 65.84 6.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.24 -0.912 . . . . 0.0 110.46 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 17.15 2.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.342 -0.849 . . . . 0.0 109.897 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -142.67 71.23 1.34 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.214 -0.929 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -134.17 -2.37 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.148 -0.97 . . . . 0.0 110.748 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.56 -8.24 19.1 Favored Glycine 0 N--CA 1.494 2.562 0 O-C-N 121.224 -0.923 . . . . 0.0 110.804 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.407 ' O ' HG23 ' A' ' 10' ' ' ILE . 7.8 mt -89.84 -4.73 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.057 -1.261 . . . . 0.0 110.474 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.33 -23.35 74.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -36.6 19.96 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.692 -0.887 . . . . 0.0 109.864 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.81 -45.41 94.53 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 121.813 0.816 . . . . 0.0 109.618 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.01 -31.99 72.43 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.773 0.797 . . . . 0.0 109.571 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.512 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -82.23 -37.7 25.6 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.832 0.825 . . . . 0.0 109.554 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -16.5 63.96 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-O 121.648 0.737 . . . . 0.0 109.419 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.48 -36.29 29.48 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.892 0.853 . . . . 0.0 108.903 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.512 ' HE3' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -71.18 -15.46 62.48 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.725 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 10.1 mmmm -85.96 -21.9 27.65 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.755 0.788 . . . . 0.0 109.99 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -116.82 -38.32 3.46 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.853 -0.529 . . . . 0.0 110.224 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.915 -1.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.208 0.528 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.96 52.96 1.11 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.197 -0.94 . . . . 0.0 110.54 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.433 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -160.04 158.83 31.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.016 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 6' ' ' LYS . 43.2 mt -138.21 45.63 2.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.271 -0.893 . . . . 0.0 110.045 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.432 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -62.6 72.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.437 -0.789 . . . . 0.0 110.305 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 4' ' ' LEU . 8.3 mttp -141.0 10.89 2.19 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.421 -0.799 . . . . 0.0 109.545 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -134.37 138.37 44.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.786 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.02 -105.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.307 -0.87 . . . . 0.0 109.58 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.57 -9.5 52.77 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.409 ' O ' HD21 ' A' ' 14' ' ' LEU . 6.7 mm -90.0 -10.25 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.498 -1.001 . . . . 0.0 110.355 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.53 -46.13 86.48 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 2.4 tttt -85.17 -24.6 27.86 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.84 -0.8 . . . . 0.0 109.66 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.454 ' O ' ' OG ' ' A' ' 16' ' ' SER . 46.3 t80 -50.25 -65.81 0.5 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.859 0.838 . . . . 0.0 110.045 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 ' HG ' ' N ' ' A' ' 15' ' ' HIS . 1.8 pp -49.33 -23.41 1.42 Allowed 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.679 0.752 . . . . 0.0 109.299 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.45 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 17.7 t-80 -73.78 -48.52 31.0 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.81 0.814 . . . . 0.0 109.233 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 13' ' ' PHE . 1.3 p -63.2 -15.76 58.02 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.674 0.75 . . . . 0.0 109.007 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.26 -42.65 22.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.94 0.876 . . . . 0.0 108.797 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -71.42 -21.18 62.02 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -86.45 -17.72 33.53 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.723 0.773 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.428 ' HB2' ' O ' ' A' ' 16' ' ' SER . 4.9 t80 -105.63 69.36 0.83 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.789 -0.569 . . . . 0.0 110.455 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.295 0.569 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.426 ' C ' ' HG2' ' A' ' 3' ' ' LYS . . . -74.99 179.3 5.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.426 ' HG2' ' C ' ' A' ' 2' ' ' ALA . 1.8 mmmp? -141.27 117.02 10.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -0.94 . . . . 0.0 110.153 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.558 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -147.3 36.24 0.9 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.869 . . . . 0.0 110.228 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.419 ' HA ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -101.89 75.99 1.59 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.241 -0.912 . . . . 0.0 110.15 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -130.76 17.24 5.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.951 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' NZ ' ' CB ' ' A' ' 7' ' ' LYS . 1.6 ttmp? -172.23 51.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.203 -0.936 . . . . 0.0 110.081 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.419 HD13 ' HA ' ' A' ' 5' ' ' PHE . 4.5 mt -129.26 -3.8 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.357 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.92 15.1 45.09 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.472 HG22 ' HB3' ' A' ' 13' ' ' PHE . 5.0 mt -64.69 -7.11 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.293 -1.122 . . . . 0.0 110.734 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -46.03 -32.59 4.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -78.47 -42.92 28.43 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.451 -1.029 . . . . 0.0 109.77 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.472 ' HB3' HG22 ' A' ' 10' ' ' ILE . 19.5 t80 -44.57 -50.2 9.75 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.257 1.027 . . . . 0.0 109.335 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.37 -28.43 1.34 Allowed 'General case' 0 C--N 1.289 -2.024 0 CA-C-O 121.755 0.788 . . . . 0.0 109.374 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.49 ' N ' ' O ' ' A' ' 12' ' ' LYS . 2.0 t-80 -85.54 -48.89 8.51 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.685 0.755 . . . . 0.0 109.892 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -21.4 66.28 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.635 0.731 . . . . 0.0 109.437 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.45 -30.32 47.43 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.0 tttp -73.22 -12.11 60.75 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.464 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -85.51 -39.43 17.46 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.905 0.86 . . . . 0.0 109.741 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -80.31 68.87 6.62 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.845 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.312 0.577 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.93 80.36 1.66 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.346 -0.846 . . . . 0.0 109.779 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -152.42 -165.55 2.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.925 . . . . 0.0 110.6 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mp -131.43 18.91 4.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.595 -0.691 . . . . 0.0 110.323 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -92.41 102.52 14.99 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.116 -0.99 . . . . 0.0 110.356 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.3 15.68 2.22 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.448 -0.782 . . . . 0.0 109.756 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.09 131.95 25.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.377 -0.827 . . . . 0.0 110.847 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.94 -4.45 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.362 -0.836 . . . . 0.0 110.447 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.3 -5.31 81.37 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.54 HG21 ' CD1' ' A' ' 14' ' ' LEU . 4.4 mt -120.52 -14.73 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -1.191 . . . . 0.0 110.459 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -50.71 64.68 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -23.78 27.15 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.765 -0.844 . . . . 0.0 110.374 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -52.64 41.12 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.54 ' CD1' HG21 ' A' ' 10' ' ' ILE . 21.8 mt -63.35 -21.67 66.41 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.787 0.803 . . . . 0.0 109.295 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.48 -42.03 15.98 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.729 0.776 . . . . 0.0 109.561 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -12.25 61.02 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.11 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.65 -38.18 23.85 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.811 0.815 . . . . 0.0 109.03 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -17.89 63.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -18.16 31.55 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.588 0.708 . . . . 0.0 110.329 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -115.57 -8.28 12.14 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.264 0.554 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.21 174.11 11.63 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.306 -0.871 . . . . 0.0 110.072 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.403 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -169.86 94.38 0.26 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.179 -0.951 . . . . 0.0 111.041 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.403 ' HG ' ' C ' ' A' ' 3' ' ' LYS . 90.2 mt -142.66 48.7 1.52 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.187 -0.945 . . . . 0.0 109.325 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.38 103.12 0.09 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.457 -0.777 . . . . 0.0 111.393 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -140.76 17.4 2.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.532 -0.73 . . . . 0.0 109.091 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.98 119.31 19.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.614 -0.679 . . . . 0.0 110.186 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt -127.19 -79.88 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.168 -0.958 . . . . 0.0 110.509 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.42 -7.34 3.67 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mm -62.26 -11.31 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -1.161 . . . . 0.0 110.258 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.87 69.28 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 108.716 -1.753 . . . . 0.0 108.716 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -85.49 -34.63 21.54 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.761 -0.846 . . . . 0.0 109.881 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -49.92 -58.9 4.49 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.947 0.879 . . . . 0.0 109.865 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -52.5 -21.27 3.58 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.658 0.742 . . . . 0.0 109.595 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.5 -38.21 26.65 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.862 0.839 . . . . 0.0 109.329 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -26.26 62.37 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.84 0.829 . . . . 0.0 108.838 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.51 -38.07 62.92 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -16.71 64.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -86.2 -46.03 10.77 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.663 0.744 . . . . 0.0 110.296 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -116.83 -66.0 1.13 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.678 -0.639 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.76 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.452 ' O ' ' CB ' ' A' ' 2' ' ' ALA . 2.0 ttmm . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.328 0.585 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.458 ' O ' ' HB3' ' A' ' 3' ' ' LYS . . . 65.93 63.17 0.59 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.275 -0.89 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.458 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -177.94 174.07 1.46 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.2 -0.938 . . . . 0.0 110.448 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.415 HD21 ' N ' ' A' ' 4' ' ' LEU . 0.2 OUTLIER -147.5 44.13 1.11 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.271 -0.893 . . . . 0.0 110.126 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.16 51.84 1.03 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.289 -0.882 . . . . 0.0 110.239 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -128.81 10.73 6.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.334 -0.854 . . . . 0.0 109.315 179.35 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.462 ' HD2' HD11 ' A' ' 10' ' ' ILE . 13.2 pttt -167.58 140.65 3.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.464 -0.772 . . . . 0.0 109.777 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.54 -4.2 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.0 110.461 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.33 -12.0 29.85 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.462 HD11 ' HD2' ' A' ' 7' ' ' LYS . 42.9 mt -65.18 -42.99 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.212 -1.169 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -19.24 32.18 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -86.08 -43.86 12.74 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.539 -0.977 . . . . 0.0 109.846 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.23 -54.39 44.02 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.252 -0.905 . . . . 0.0 109.15 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 HD12 ' O ' ' A' ' 10' ' ' ILE . 1.2 mp -55.26 -26.68 41.53 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.875 0.845 . . . . 0.0 109.043 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -71.46 -39.13 71.13 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.999 0.904 . . . . 0.0 108.851 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.414 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -63.0 -14.28 45.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.88 -49.4 14.3 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.707 0.765 . . . . 0.0 109.037 179.033 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.65 64.92 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -86.13 -18.6 31.87 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.702 0.763 . . . . 0.0 109.707 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.414 ' HB2' ' O ' ' A' ' 16' ' ' SER . 14.1 t80 -98.07 -52.78 3.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' ALA . 1.3 ttmt . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.262 0.553 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' LYS . . . 43.82 79.09 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.222 -0.924 . . . . 0.0 109.854 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.436 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 12.3 tttm -174.2 156.52 2.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.891 . . . . 0.0 110.4 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' LYS . 2.5 mt -130.63 31.07 4.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.349 -0.845 . . . . 0.0 109.541 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -64.5 68.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.401 -0.812 . . . . 0.0 110.798 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 4' ' ' LEU . 14.8 tttm -130.18 17.69 5.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.313 -0.867 . . . . 0.0 109.179 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.08 127.1 31.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.563 -0.711 . . . . 0.0 109.661 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mt -126.74 -60.66 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.167 -0.958 . . . . 0.0 110.071 -179.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.43 5.01 3.79 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.684 -1.366 . . . . 0.0 109.684 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 1.1 mp -69.84 -13.06 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.118 -1.225 . . . . 0.0 110.123 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.2 53.4 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -76.13 -2.4 30.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.882 -0.775 . . . . 0.0 109.741 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.479 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.7 t80 -61.93 -53.44 55.64 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.233 -0.917 . . . . 0.0 109.79 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.46 -21.12 9.0 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.799 0.809 . . . . 0.0 109.159 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.02 -51.28 9.81 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.856 0.836 . . . . 0.0 109.03 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 41.0 m -62.0 -13.86 29.84 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.49 -42.91 28.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.72 0.771 . . . . 0.0 109.06 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -13.8 60.88 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.49 -22.72 28.09 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.725 0.774 . . . . 0.0 109.58 179.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -116.58 55.91 0.81 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.585 -0.697 . . . . 0.0 110.246 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.296 0.57 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.2 81.91 0.06 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HG3' ' O ' ' A' ' 3' ' ' LYS . 7.6 ptpt -152.07 89.84 1.48 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.224 -0.923 . . . . 0.0 110.006 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 35.8 mt -133.15 6.62 3.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.298 -0.876 . . . . 0.0 110.391 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.14 47.0 1.0 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.158 -0.964 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.03 20.46 3.01 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.512 -0.743 . . . . 0.0 109.149 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -148.05 136.93 21.89 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.037 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG21 HD11 ' A' ' 8' ' ' ILE . 1.9 mt -136.22 -102.13 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.489 -0.757 . . . . 0.0 109.997 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.96 1.0 4.18 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.445 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 16.2 mt -89.66 -5.99 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.182 -1.187 . . . . 0.0 110.256 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -59.82 -71.46 0.77 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -62.36 -10.1 10.22 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.713 -0.875 . . . . 0.0 110.531 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.445 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -58.59 -62.71 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.082 -1.011 . . . . 0.0 110.027 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -52.99 -20.67 3.61 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.301 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -71.09 -36.88 72.39 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 122.072 0.939 . . . . 0.0 108.829 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 t -61.97 -26.53 68.26 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.648 0.737 . . . . 0.0 109.271 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -69.77 -37.88 76.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.799 0.809 . . . . 0.0 108.878 178.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -12.12 60.22 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -84.71 -23.1 29.49 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 121.718 0.77 . . . . 0.0 109.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -116.68 -62.16 1.62 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.737 -0.602 . . . . 0.0 110.364 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.891 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.241 0.544 . . . . 0.0 110.116 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.11 65.98 1.29 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 110.223 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.1 tptm -148.61 84.27 1.48 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 110.198 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -161.64 31.69 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.247 -0.908 . . . . 0.0 110.198 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -99.51 57.15 1.02 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.275 -0.891 . . . . 0.0 110.31 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -130.08 10.59 5.43 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.842 . . . . 0.0 109.767 179.684 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 177.79 148.19 0.16 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.349 -0.844 . . . . 0.0 110.259 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.23 -108.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.209 -0.932 . . . . 0.0 109.677 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.94 -51.92 4.4 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.437 HD12 HG21 ' A' ' 10' ' ' ILE . 5.3 mm -104.36 -6.85 9.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 121.786 -0.832 . . . . 0.0 110.31 -179.696 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.98 -25.08 69.09 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 11.1 tptm -85.47 -34.59 21.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.688 -0.889 . . . . 0.0 109.797 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.89 -65.55 0.54 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.305 -0.872 . . . . 0.0 109.889 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.401 ' HG ' ' N ' ' A' ' 15' ' ' HIS . 1.8 pp -55.5 -18.99 8.32 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.759 0.79 . . . . 0.0 109.279 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.405 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 7.8 t-80 -79.8 -41.1 27.18 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.762 0.792 . . . . 0.0 109.7 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -18.39 63.62 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.561 0.696 . . . . 0.0 109.713 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.3 -40.02 27.63 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.895 0.855 . . . . 0.0 108.929 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -69.55 -15.0 63.14 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -17.33 36.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.628 -0.67 . . . . 0.0 109.981 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -107.62 3.17 24.51 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.457 -0.777 . . . . 0.0 110.109 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.236 0.541 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.56 125.03 42.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 0.0 109.931 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.79 172.06 14.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.252 -0.905 . . . . 0.0 110.41 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.6 mt -131.56 30.47 4.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 0.0 109.947 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.95 55.83 0.57 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.128 -0.982 . . . . 0.0 110.438 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.436 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -131.44 10.18 4.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.474 -0.766 . . . . 0.0 109.169 179.144 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.474 ' HB3' HG13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -170.96 173.23 5.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.507 -0.746 . . . . 0.0 109.586 -179.73 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.12 -5.32 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.995 -1.066 . . . . 0.0 110.819 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.45 ' O ' ' HB2' ' A' ' 13' ' ' PHE . . . -107.26 9.14 38.8 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.474 HG13 ' HB3' ' A' ' 7' ' ' LYS . 7.3 mt -60.83 -13.8 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -1.198 . . . . 0.0 110.211 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.67 -67.75 1.95 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -81.97 6.97 14.33 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.647 -0.913 . . . . 0.0 110.234 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.469 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -75.03 -41.75 58.61 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.169 -0.957 . . . . 0.0 109.456 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 HD11 ' N ' ' A' ' 15' ' ' HIS . 4.1 pp -63.08 -21.11 65.95 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 121.774 0.797 . . . . 0.0 109.295 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.459 ' N ' HD11 ' A' ' 14' ' ' LEU . 4.0 t-80 -85.16 -47.92 9.65 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.856 0.836 . . . . 0.0 109.359 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -18.51 64.36 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.72 0.771 . . . . 0.0 108.936 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.24 47.11 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -73.27 -11.33 60.46 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -28.42 24.99 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.729 0.776 . . . . 0.0 109.871 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.09 41.51 1.95 Allowed 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.738 -0.601 . . . . 0.0 110.48 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.82 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.226 0.536 . . . . 0.0 110.101 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 54.69 75.32 0.3 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.924 . . . . 0.0 110.134 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 4' ' ' LEU . 2.4 ttmp? -166.89 72.81 0.13 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.271 -0.893 . . . . 0.0 110.005 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' HB3' ' O ' ' A' ' 3' ' ' LYS . 1.2 pp -178.49 52.15 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.166 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -73.88 54.13 0.49 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.088 -1.007 . . . . 0.0 110.3 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.454 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -133.69 11.46 4.03 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.419 -0.801 . . . . 0.0 109.672 179.659 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 0.454 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 10.2 pttt -178.11 148.76 0.52 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.24 -0.913 . . . . 0.0 111.005 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mt -127.9 -105.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.469 -0.769 . . . . 0.0 109.527 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.68 2.8 86.27 Favored Glycine 0 N--CA 1.492 2.381 0 O-C-N 120.853 -1.154 . . . . 0.0 110.311 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 49.0 mt -62.31 -11.29 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.051 -1.264 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -45.11 -76.82 0.11 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.423 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 3.2 mtmm -47.06 -27.28 1.29 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.843 -0.798 . . . . 0.0 110.896 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.47 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 6.8 t80 -52.77 -60.98 2.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.034 -1.042 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -19.88 4.15 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.709 0.766 . . . . 0.0 109.361 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 8.3 t-80 -79.3 -47.01 16.61 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.787 0.803 . . . . 0.0 110.065 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -18.2 58.61 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.586 0.708 . . . . 0.0 109.674 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . -79.39 -38.42 34.92 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.974 0.892 . . . . 0.0 108.686 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -66.91 -18.51 65.42 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -46.48 10.41 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.757 0.789 . . . . 0.0 110.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' A' ' 17' ' ' ALA . 3.9 t80 -111.77 -169.49 1.47 Allowed 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.713 -0.617 . . . . 0.0 110.097 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.2 pttt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.176 0.513 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.49 163.96 19.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.242 -0.911 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.24 132.85 38.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.0 110.224 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 2.2 pt? -134.34 23.7 3.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.189 -0.945 . . . . 0.0 110.309 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -88.53 56.54 3.83 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.164 -0.96 . . . . 0.0 110.102 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -129.52 17.72 5.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 0.0 109.237 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -139.09 178.06 7.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.659 -0.65 . . . . 0.0 109.435 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -126.99 -78.83 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.013 -1.054 . . . . 0.0 110.76 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.82 -8.73 54.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.459 ' O ' HG23 ' A' ' 10' ' ' ILE . 8.9 mt -88.05 -15.24 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -1.179 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.75 -70.16 1.08 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' HD3' ' OG ' ' A' ' 16' ' ' SER . 2.0 tmtt? -56.16 -20.17 16.62 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.766 -0.844 . . . . 0.0 109.573 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -63.99 -48.04 77.95 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 121.989 0.9 . . . . 0.0 109.36 179.331 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.53 -35.19 65.38 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.77 0.795 . . . . 0.0 109.769 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -42.07 23.01 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.801 0.81 . . . . 0.0 109.751 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.404 ' OG ' ' HD3' ' A' ' 12' ' ' LYS . 57.9 m -65.08 -17.31 64.35 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.684 0.754 . . . . 0.0 109.394 179.403 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.65 -42.85 27.6 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.73 0.776 . . . . 0.0 109.191 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -16.35 62.44 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.75 20.34 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.634 0.73 . . . . 0.0 110.26 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.21 -70.43 0.81 Allowed 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.709 -0.619 . . . . 0.0 110.383 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.216 0.531 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.5 91.39 3.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.246 -0.909 . . . . 0.0 110.048 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -150.74 133.41 15.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.15 -0.969 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mt -130.66 5.12 4.65 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 109.604 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.586 ' CD2' HD11 ' A' ' 8' ' ' ILE . 2.7 m-30 -98.79 102.38 14.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.361 -0.837 . . . . 0.0 109.952 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -130.0 14.02 5.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.392 -0.817 . . . . 0.0 109.824 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -169.35 91.3 0.23 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.035 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.586 HD11 ' CD2' ' A' ' 5' ' ' PHE . 3.8 mt -127.5 -5.82 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.314 -0.866 . . . . 0.0 110.393 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.96 103.84 2.91 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.506 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 30.1 mt -83.3 -1.71 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.535 -0.979 . . . . 0.0 110.499 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.419 ' O ' HD11 ' A' ' 14' ' ' LEU . . . -50.19 -84.32 0.02 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -14.42 6.71 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.861 . . . . 0.0 110.576 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.506 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.9 t80 -56.63 -38.76 72.54 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.104 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 HD11 ' O ' ' A' ' 10' ' ' ILE . 1.1 mt -54.03 -25.81 23.24 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.825 0.821 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.78 -46.35 65.97 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.987 0.899 . . . . 0.0 109.459 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -14.14 33.64 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.374 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.47 -38.78 29.3 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.873 0.844 . . . . 0.0 109.156 179.051 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -69.92 -17.87 63.35 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.714 0.768 . . . . 0.0 108.99 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -18.21 32.92 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.6 0.714 . . . . 0.0 109.904 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -116.44 81.39 1.61 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.552 -0.718 . . . . 0.0 110.261 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 10' ' ' ILE . 21.0 mt . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 121.281 0.562 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.28 -83.44 0.04 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -44.7 -31.26 1.12 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.726 -0.867 . . . . 0.0 110.174 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.139 -0.975 . . . . 0.0 109.805 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.86 -19.53 12.13 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.615 0.721 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -33.96 56.65 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.389 -0.819 . . . . 0.0 109.555 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 m -69.15 -21.94 63.97 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.805 0.812 . . . . 0.0 109.17 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.07 70.98 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.753 0.787 . . . . 0.0 108.982 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -14.53 61.52 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 119.671 -0.811 . . . . 0.0 108.93 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -22.12 31.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.643 -0.66 . . . . 0.0 110.462 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.554 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 13.2 mm . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.292 0.567 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.24 -60.65 3.47 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.92 4.57 32.87 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.797 -0.825 . . . . 0.0 110.349 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.1 t80 -58.58 -49.86 75.9 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.075 -1.016 . . . . 0.0 109.923 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.55 -16.97 11.58 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.344 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -81.94 -50.69 8.87 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.637 0.732 . . . . 0.0 109.951 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -61.37 -15.07 32.7 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.18 -37.23 38.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.885 0.85 . . . . 0.0 108.981 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -18.15 65.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -12.25 51.42 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.613 0.721 . . . . 0.0 109.774 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.299 -1.597 0 O-C-N 121.609 -0.682 . . . . 0.0 110.642 -179.485 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 10' ' ' ILE . 23.0 mm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.288 0.566 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.65 -37.57 68.59 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -15.99 40.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.586 -0.95 . . . . 0.0 110.277 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.49 -51.0 70.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.937 . . . . 0.0 109.539 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.01 -19.21 4.42 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.508 0.671 . . . . 0.0 109.765 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -83.51 -51.63 7.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.436 -0.79 . . . . 0.0 109.789 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -66.18 -22.64 66.36 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.745 0.783 . . . . 0.0 109.362 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.1 45.07 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -9.63 58.89 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.35 34.16 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.87 0.843 . . . . 0.0 109.004 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 . . . . . 0 C--N 1.298 -1.65 0 C-N-CA 120.214 -0.595 . . . . 0.0 109.974 179.707 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 13' ' ' PHE . 9.9 mt . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.244 0.545 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.63 -26.54 3.94 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -80.22 -52.36 7.83 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.709 -0.877 . . . . 0.0 109.188 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 10' ' ' ILE . 15.6 t80 -57.16 -45.36 83.68 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.342 1.067 . . . . 0.0 108.426 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -31.06 39.52 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.569 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -75.78 -48.69 20.68 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.815 0.817 . . . . 0.0 109.161 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -18.73 64.7 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.792 0.806 . . . . 0.0 109.056 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.56 -33.12 42.06 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 108.807 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -75.14 -12.24 60.26 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -31.46 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.832 0.825 . . . . 0.0 109.777 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.297 -1.704 0 O-C-N 121.774 -0.579 . . . . 0.0 110.353 -179.729 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.494 HG22 ' HG ' ' A' ' 14' ' ' LEU . 9.7 mt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.244 0.545 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.02 -23.41 7.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -44.55 12.61 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.899 . . . . 0.0 109.966 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.47 -45.43 84.84 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 108.942 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' HG ' HG22 ' A' ' 10' ' ' ILE . 75.8 mt -58.44 -23.21 56.91 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.684 0.754 . . . . 0.0 109.461 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -85.09 -48.61 9.02 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.815 0.816 . . . . 0.0 109.703 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -63.75 -18.44 64.06 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.725 0.774 . . . . 0.0 109.278 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.32 32.03 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.952 0.882 . . . . 0.0 108.97 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 13.4 tttp -71.57 -17.11 62.32 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -86.78 -26.49 24.11 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.617 0.722 . . . . 0.0 110.3 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.297 -1.709 0 O-C-N 121.54 -0.725 . . . . 0.0 110.325 -179.438 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.9 mt . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.419 0.628 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.87 -35.16 19.75 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.792 -0.828 . . . . 0.0 109.119 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -48.5 -67.39 0.27 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.776 0.798 . . . . 0.0 109.908 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -50.37 -22.46 1.85 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.77 0.795 . . . . 0.0 109.211 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.71 -50.01 11.24 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.734 0.778 . . . . 0.0 108.934 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -69.72 -16.99 63.43 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.44 56.3 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -70.14 -14.36 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -33.25 51.27 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.88 0.848 . . . . 0.0 109.032 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.297 -1.7 0 O-C-N 121.815 -0.553 . . . . 0.0 109.882 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.271 0.558 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.76 -31.94 28.32 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -85.47 -12.14 52.57 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.577 -0.955 . . . . 0.0 109.571 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.93 -69.18 0.15 Allowed 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.764 0.792 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -51.55 -20.42 1.93 Allowed 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.591 0.71 . . . . 0.0 109.872 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -35.61 20.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.715 0.769 . . . . 0.0 110.552 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -61.59 -42.32 98.69 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.489 0.661 . . . . 0.0 110.576 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.51 70.17 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.859 0.837 . . . . 0.0 108.783 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 3.7 mtmm -72.75 -12.43 61.01 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -18.82 32.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.44 -0.788 . . . . 0.0 110.185 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.477 -0.765 . . . . 0.0 110.347 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 10' ' ' ILE . 7.8 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.225 0.536 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.33 -23.35 74.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -36.6 19.96 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.692 -0.887 . . . . 0.0 109.864 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.81 -45.41 94.53 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 121.813 0.816 . . . . 0.0 109.618 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.01 -31.99 72.43 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.773 0.797 . . . . 0.0 109.571 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.533 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -82.23 -37.7 25.6 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.832 0.825 . . . . 0.0 109.554 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -16.5 63.96 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-O 121.648 0.737 . . . . 0.0 109.419 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.48 -36.29 29.48 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.892 0.853 . . . . 0.0 108.903 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HE3' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -71.18 -15.46 62.48 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.725 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 10.1 mmmm -85.96 -21.9 27.65 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.755 0.788 . . . . 0.0 109.99 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 . . . . . 0 C--N 1.296 -1.745 0 O-C-N 121.853 -0.529 . . . . 0.0 110.224 -179.119 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.586 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.7 mm . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.38 0.609 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.53 -46.13 86.48 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 2.4 tttt -85.17 -24.6 27.86 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.84 -0.8 . . . . 0.0 109.66 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 46.3 t80 -50.25 -65.81 0.5 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.859 0.838 . . . . 0.0 110.045 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 10' ' ' ILE . 1.8 pp -49.33 -23.41 1.42 Allowed 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.679 0.752 . . . . 0.0 109.299 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 17.7 t-80 -73.78 -48.52 31.0 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.81 0.814 . . . . 0.0 109.233 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.3 p -63.2 -15.76 58.02 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.674 0.75 . . . . 0.0 109.007 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.26 -42.65 22.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.94 0.876 . . . . 0.0 108.797 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -71.42 -21.18 62.02 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -86.45 -17.72 33.53 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.723 0.773 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 16' ' ' SER . 4.9 t80 . . . . . 0 C--N 1.299 -1.624 0 O-C-N 121.789 -0.569 . . . . 0.0 110.455 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' A' ' 13' ' ' PHE . 5.0 mt . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.169 0.509 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -46.03 -32.59 4.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -78.47 -42.92 28.43 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.451 -1.029 . . . . 0.0 109.77 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB3' HG23 ' A' ' 10' ' ' ILE . 19.5 t80 -44.57 -50.2 9.75 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.257 1.027 . . . . 0.0 109.335 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.37 -28.43 1.34 Allowed 'General case' 0 C--N 1.289 -2.024 0 CA-C-O 121.755 0.788 . . . . 0.0 109.374 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' LYS . 2.0 t-80 -85.54 -48.89 8.51 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.685 0.755 . . . . 0.0 109.892 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -21.4 66.28 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.635 0.731 . . . . 0.0 109.437 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.45 -30.32 47.43 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.0 tttp -73.22 -12.11 60.75 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -85.51 -39.43 17.46 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.905 0.86 . . . . 0.0 109.741 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.295 -1.802 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.835 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 HD12 ' A' ' 14' ' ' LEU . 4.4 mt . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.471 0.653 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -50.71 64.68 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -23.78 27.15 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.765 -0.844 . . . . 0.0 110.374 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -52.64 41.12 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.562 HD12 HG22 ' A' ' 10' ' ' ILE . 21.8 mt -63.35 -21.67 66.41 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.787 0.803 . . . . 0.0 109.295 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.48 -42.03 15.98 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.729 0.776 . . . . 0.0 109.561 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -12.25 61.02 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.11 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.65 -38.18 23.85 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.811 0.815 . . . . 0.0 109.03 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -17.89 63.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -18.16 31.55 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.588 0.708 . . . . 0.0 110.329 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.298 -1.635 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 -179.649 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mm . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.363 0.601 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.87 69.28 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 108.716 -1.753 . . . . 0.0 108.716 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -85.49 -34.63 21.54 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.761 -0.846 . . . . 0.0 109.881 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -49.92 -58.9 4.49 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.947 0.879 . . . . 0.0 109.865 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -52.5 -21.27 3.58 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.658 0.742 . . . . 0.0 109.595 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.5 -38.21 26.65 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.862 0.839 . . . . 0.0 109.329 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -26.26 62.37 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.84 0.829 . . . . 0.0 108.838 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.51 -38.07 62.92 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -16.71 64.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -86.2 -46.03 10.77 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.663 0.744 . . . . 0.0 110.296 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--N 1.296 -1.752 0 O-C-N 121.678 -0.639 . . . . 0.0 110.272 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.9 mt . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.656 0.741 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -19.24 32.18 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -86.08 -43.86 12.74 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.539 -0.977 . . . . 0.0 109.846 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.23 -54.39 44.02 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.252 -0.905 . . . . 0.0 109.15 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 mp -55.26 -26.68 41.53 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.875 0.845 . . . . 0.0 109.043 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -71.46 -39.13 71.13 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.999 0.904 . . . . 0.0 108.851 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -63.0 -14.28 45.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -77.88 -49.4 14.3 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.707 0.765 . . . . 0.0 109.037 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.65 64.92 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -86.13 -18.6 31.87 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.702 0.763 . . . . 0.0 109.707 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' SER . 14.1 t80 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 1.1 mp . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.483 0.659 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.2 53.4 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -76.13 -2.4 30.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.882 -0.775 . . . . 0.0 109.741 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.7 t80 -61.93 -53.44 55.64 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.233 -0.917 . . . . 0.0 109.79 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.46 -21.12 9.0 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.799 0.809 . . . . 0.0 109.159 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.02 -51.28 9.81 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.856 0.836 . . . . 0.0 109.03 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . 41.0 m -62.0 -13.86 29.84 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.49 -42.91 28.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.72 0.771 . . . . 0.0 109.06 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -13.8 60.88 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -85.49 -22.72 28.09 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.725 0.774 . . . . 0.0 109.58 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.585 -0.697 . . . . 0.0 110.246 -179.861 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 16.2 mt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.362 0.601 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -59.82 -71.46 0.77 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -62.36 -10.1 10.22 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.713 -0.875 . . . . 0.0 110.531 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -58.59 -62.71 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.082 -1.011 . . . . 0.0 110.027 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -52.99 -20.67 3.61 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.301 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -71.09 -36.88 72.39 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 122.072 0.939 . . . . 0.0 108.829 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 t -61.97 -26.53 68.26 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.648 0.737 . . . . 0.0 109.271 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.88 76.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.799 0.809 . . . . 0.0 108.878 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -12.12 60.22 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -84.71 -23.1 29.49 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 121.718 0.77 . . . . 0.0 109.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.2 t80 . . . . . 0 C--N 1.298 -1.645 0 O-C-N 121.737 -0.602 . . . . 0.0 110.364 -179.47 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.346 0.593 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.98 -25.08 69.09 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 11.1 tptm -85.47 -34.59 21.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.688 -0.889 . . . . 0.0 109.797 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.89 -65.55 0.54 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.305 -0.872 . . . . 0.0 109.889 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 15' ' ' HIS . 1.8 pp -55.5 -18.99 8.32 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.759 0.79 . . . . 0.0 109.279 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 7.8 t-80 -79.8 -41.1 27.18 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.762 0.792 . . . . 0.0 109.7 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -18.39 63.62 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.561 0.696 . . . . 0.0 109.713 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.3 -40.02 27.63 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.895 0.855 . . . . 0.0 108.929 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -69.55 -15.0 63.14 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -17.33 36.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.628 -0.67 . . . . 0.0 109.981 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.3 -1.569 0 O-C-N 121.457 -0.777 . . . . 0.0 110.109 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.541 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 7.3 mt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.448 0.642 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.67 -67.75 1.95 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -81.97 6.97 14.33 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.647 -0.913 . . . . 0.0 110.234 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -75.03 -41.75 58.61 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.169 -0.957 . . . . 0.0 109.456 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.493 ' C ' HD12 ' A' ' 14' ' ' LEU . 4.1 pp -63.08 -21.11 65.95 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 121.774 0.797 . . . . 0.0 109.295 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' LEU . 4.0 t-80 -85.16 -47.92 9.65 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.856 0.836 . . . . 0.0 109.359 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -18.51 64.36 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.72 0.771 . . . . 0.0 108.936 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.24 47.11 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -73.27 -11.33 60.46 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -28.42 24.99 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.729 0.776 . . . . 0.0 109.871 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--N 1.296 -1.751 0 O-C-N 121.738 -0.601 . . . . 0.0 110.48 -179.529 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 49.0 mt . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.424 0.631 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -45.11 -76.82 0.11 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 3.2 mtmm -47.06 -27.28 1.29 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.843 -0.798 . . . . 0.0 110.896 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 6.8 t80 -52.77 -60.98 2.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.034 -1.042 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -19.88 4.15 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.709 0.766 . . . . 0.0 109.361 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 8.3 t-80 -79.3 -47.01 16.61 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.787 0.803 . . . . 0.0 110.065 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -18.2 58.61 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.586 0.708 . . . . 0.0 109.674 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . -79.39 -38.42 34.92 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.974 0.892 . . . . 0.0 108.686 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -66.91 -18.51 65.42 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -46.48 10.41 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.757 0.789 . . . . 0.0 110.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' A' ' 17' ' ' ALA . 3.9 t80 . . . . . 0 C--N 1.295 -1.784 0 O-C-N 121.713 -0.617 . . . . 0.0 110.097 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 8.9 mt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.468 0.651 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.75 -70.16 1.08 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -56.16 -20.17 16.62 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.766 -0.844 . . . . 0.0 109.573 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -63.99 -48.04 77.95 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 121.989 0.9 . . . . 0.0 109.36 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.53 -35.19 65.38 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.77 0.795 . . . . 0.0 109.769 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -42.07 23.01 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.801 0.81 . . . . 0.0 109.751 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.9 m -65.08 -17.31 64.35 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.684 0.754 . . . . 0.0 109.394 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.65 -42.85 27.6 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.73 0.776 . . . . 0.0 109.191 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -16.35 62.44 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.75 20.34 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.634 0.73 . . . . 0.0 110.26 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.295 -1.775 0 O-C-N 121.709 -0.619 . . . . 0.0 110.383 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 30.1 mt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.302 0.573 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . 0.788 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -50.19 -84.32 0.02 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -14.42 6.71 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.861 . . . . 0.0 110.576 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' PHE . . . . . 0.597 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.9 t80 -56.63 -38.76 72.54 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.104 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 11' ' ' GLY . 1.1 mt -54.03 -25.81 23.24 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.825 0.821 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.78 -46.35 65.97 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.987 0.899 . . . . 0.0 109.459 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -14.14 33.64 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.374 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -80.47 -38.78 29.3 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.873 0.844 . . . . 0.0 109.156 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -69.92 -17.87 63.35 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.714 0.768 . . . . 0.0 108.99 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -18.21 32.92 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.6 0.714 . . . . 0.0 109.904 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.298 -1.634 0 O-C-N 121.552 -0.718 . . . . 0.0 110.261 -179.401 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.232 0.539 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.73 99.24 2.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 0.0 110.552 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -137.25 95.7 3.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.403 -0.811 . . . . 0.0 109.426 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -158.44 20.66 0.23 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.301 -0.874 . . . . 0.0 110.679 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.18 76.64 0.52 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.193 -0.942 . . . . 0.0 110.229 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -143.98 13.64 1.67 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.257 -0.902 . . . . 0.0 109.569 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.37 142.93 37.54 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.355 -0.938 . . . . 0.0 111.524 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mt -130.35 -4.88 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.555 -0.715 . . . . 0.0 110.289 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.78 17.59 51.93 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 10' ' ' ILE . 21.0 mt -81.67 -5.11 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.08 -1.247 . . . . 0.0 110.425 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.28 -83.44 0.04 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -44.7 -31.26 1.12 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.726 -0.867 . . . . 0.0 110.174 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.139 -0.975 . . . . 0.0 109.805 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.86 -19.53 12.13 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.615 0.721 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -33.96 56.65 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.389 -0.819 . . . . 0.0 109.555 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 m -69.15 -21.94 63.97 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.805 0.812 . . . . 0.0 109.17 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.07 70.98 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.753 0.787 . . . . 0.0 108.982 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -14.53 61.52 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 119.671 -0.811 . . . . 0.0 108.93 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -22.12 31.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.643 -0.66 . . . . 0.0 110.462 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.92 56.46 0.63 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.713 -1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.195 0.521 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.46 169.56 1.67 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.207 -0.933 . . . . 0.0 109.983 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.87 71.27 1.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.01 . . . . 0.0 110.705 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.32 27.03 4.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.137 -0.977 . . . . 0.0 110.13 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.465 ' CE1' HD12 ' A' ' 8' ' ' ILE . 1.6 m-85 -83.57 86.63 7.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.183 -0.948 . . . . 0.0 110.544 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 2.6 tttt -130.82 15.98 5.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.334 -0.854 . . . . 0.0 109.823 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 7' ' ' LYS . 22.9 ttpp -170.11 52.62 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 110.634 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 5' ' ' PHE . 1.3 mt -136.55 -22.86 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.154 -0.966 . . . . 0.0 111.39 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.86 -16.32 7.47 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.554 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 13.2 mm -91.38 -6.02 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.26 -1.141 . . . . 0.0 110.389 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.24 -60.65 3.47 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.92 4.57 32.87 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.797 -0.825 . . . . 0.0 110.349 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.1 t80 -58.58 -49.86 75.9 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.075 -1.016 . . . . 0.0 109.923 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.55 -16.97 11.58 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.344 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -81.94 -50.69 8.87 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.637 0.732 . . . . 0.0 109.951 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -61.37 -15.07 32.7 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.18 -37.23 38.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.885 0.85 . . . . 0.0 108.981 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -18.15 65.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -12.25 51.42 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.613 0.721 . . . . 0.0 109.774 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -86.28 47.67 1.5 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.609 -0.682 . . . . 0.0 110.642 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.295 0.569 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 3' ' ' LYS . . . 53.48 86.63 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.232 -0.917 . . . . 0.0 110.184 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 2' ' ' ALA . 5.6 tptt 177.22 130.56 0.05 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.251 -0.906 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -176.75 43.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.123 -0.986 . . . . 0.0 110.635 -179.76 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 5' ' ' PHE . 77.3 t80 -87.5 61.91 6.82 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.089 -1.007 . . . . 0.0 110.328 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.74 22.23 0.52 Allowed 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.41 110.58 0.39 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -129.88 -6.01 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.913 . . . . 0.0 110.542 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.42 103.48 1.94 Allowed Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 10' ' ' ILE . 23.0 mm -81.72 -5.26 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.466 -1.02 . . . . 0.0 110.423 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.65 -37.57 68.59 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -15.99 40.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.586 -0.95 . . . . 0.0 110.277 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.49 -51.0 70.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.937 . . . . 0.0 109.539 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.01 -19.21 4.42 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.508 0.671 . . . . 0.0 109.765 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -83.51 -51.63 7.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.436 -0.79 . . . . 0.0 109.789 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -66.18 -22.64 66.36 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.745 0.783 . . . . 0.0 109.362 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.1 45.07 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -9.63 58.89 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.35 34.16 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.87 0.843 . . . . 0.0 109.004 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -117.03 150.51 38.5 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 120.214 -0.595 . . . . 0.0 109.974 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.777 -1.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.213 0.53 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 67.87 122.03 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.216 -0.927 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -137.42 116.3 12.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -175.53 29.69 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.247 -0.908 . . . . 0.0 110.22 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -61.3 79.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.171 -0.956 . . . . 0.0 110.207 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 4' ' ' LEU . 24.2 mttt -151.35 16.84 0.73 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.591 -0.693 . . . . 0.0 109.624 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -143.31 100.02 3.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.312 -0.867 . . . . 0.0 110.825 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 10' ' ' ILE . 1.1 mt -137.48 -101.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.39 -0.819 . . . . 0.0 110.058 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 8' ' ' ILE . . . 143.05 -7.95 2.15 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.294 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' H ' HG22 ' A' ' 8' ' ' ILE . 9.9 mt -94.23 -6.38 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.009 -1.289 . . . . 0.0 110.426 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.63 -26.54 3.94 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -80.22 -52.36 7.83 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.709 -0.877 . . . . 0.0 109.188 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 10' ' ' ILE . 15.6 t80 -57.16 -45.36 83.68 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.342 1.067 . . . . 0.0 108.426 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -31.06 39.52 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.569 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -75.78 -48.69 20.68 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.815 0.817 . . . . 0.0 109.161 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -18.73 64.7 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.792 0.806 . . . . 0.0 109.056 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.56 -33.12 42.06 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 108.807 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -75.14 -12.24 60.26 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -31.46 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.832 0.825 . . . . 0.0 109.777 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -99.66 136.84 38.98 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.774 -0.579 . . . . 0.0 110.353 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 3' ' ' LYS . 4.1 mttt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.225 0.536 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.82 80.34 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.204 -0.935 . . . . 0.0 110.241 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 1' ' ' LYS . 31.8 mttt -149.56 132.41 16.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.176 -0.952 . . . . 0.0 110.342 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.721 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.6 pt? -149.63 48.61 0.95 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.0 110.051 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.819 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 61.9 t80 -64.09 72.53 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.33 -0.856 . . . . 0.0 110.136 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -136.95 8.43 2.99 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.481 -0.762 . . . . 0.0 109.943 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.56 83.36 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.92 . . . . 0.0 110.737 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mt -129.0 -3.66 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.173 -0.955 . . . . 0.0 110.281 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.17 2.24 4.23 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.819 HD11 ' CZ ' ' A' ' 5' ' ' PHE . 9.7 mt -68.69 -6.77 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.077 -1.249 . . . . 0.0 110.067 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.02 -23.41 7.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -44.55 12.61 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.899 . . . . 0.0 109.966 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.47 -45.43 84.84 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 108.942 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' HG ' HG22 ' A' ' 10' ' ' ILE . 75.8 mt -58.44 -23.21 56.91 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.684 0.754 . . . . 0.0 109.461 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -85.09 -48.61 9.02 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.815 0.816 . . . . 0.0 109.703 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -63.75 -18.44 64.06 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.725 0.774 . . . . 0.0 109.278 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.32 32.03 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.952 0.882 . . . . 0.0 108.97 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 13.4 tttp -71.57 -17.11 62.32 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -86.78 -26.49 24.11 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.617 0.722 . . . . 0.0 110.3 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -113.78 38.58 2.92 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.54 -0.725 . . . . 0.0 110.325 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.932 -1.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.247 0.546 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.23 119.92 20.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.207 -0.933 . . . . 0.0 110.076 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -164.19 53.57 0.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 0.0 110.081 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.8 pp -152.02 46.1 0.76 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.317 -0.864 . . . . 0.0 110.107 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.508 ' N ' ' CD1' ' A' ' 5' ' ' PHE . 6.6 m-30 -55.72 116.43 2.92 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.271 -0.893 . . . . 0.0 110.109 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -129.82 2.46 4.89 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.456 -0.778 . . . . 0.0 109.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.95 43.9 1.57 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 0.0 110.38 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 mt -131.96 -4.68 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.533 -0.729 . . . . 0.0 110.463 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.15 -17.12 78.72 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.9 mt -100.06 -10.65 8.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.547 -0.972 . . . . 0.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.87 -35.16 19.75 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.792 -0.828 . . . . 0.0 109.119 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -48.5 -67.39 0.27 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.776 0.798 . . . . 0.0 109.908 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -50.37 -22.46 1.85 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.77 0.795 . . . . 0.0 109.211 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.71 -50.01 11.24 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.734 0.778 . . . . 0.0 108.934 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -69.72 -16.99 63.43 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.44 56.3 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -70.14 -14.36 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -33.25 51.27 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.88 0.848 . . . . 0.0 109.032 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.83 115.21 25.11 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.815 -0.553 . . . . 0.0 109.882 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.219 0.533 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.85 82.58 2.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.26 -0.9 . . . . 0.0 110.377 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 2.3 pttp -133.55 46.13 2.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.284 -0.885 . . . . 0.0 109.999 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 3' ' ' LYS . 11.6 mt -141.94 37.31 1.6 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.544 -0.723 . . . . 0.0 109.381 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.88 95.59 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.577 -0.702 . . . . 0.0 110.726 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -134.4 7.7 3.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.436 -0.79 . . . . 0.0 109.635 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -176.95 -172.78 0.43 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.444 -0.785 . . . . 0.0 110.04 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.76 -3.65 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 110.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.93 42.68 2.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.98 -4.19 9.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.711 -0.876 . . . . 0.0 110.677 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.76 -31.94 28.32 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -85.47 -12.14 52.57 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.577 -0.955 . . . . 0.0 109.571 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.93 -69.18 0.15 Allowed 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.764 0.792 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -51.55 -20.42 1.93 Allowed 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.591 0.71 . . . . 0.0 109.872 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -35.61 20.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.715 0.769 . . . . 0.0 110.552 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -61.59 -42.32 98.69 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.489 0.661 . . . . 0.0 110.576 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.51 70.17 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.859 0.837 . . . . 0.0 108.783 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 3.7 mtmm -72.75 -12.43 61.01 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -18.82 32.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.44 -0.788 . . . . 0.0 110.185 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -109.45 109.36 20.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.477 -0.765 . . . . 0.0 110.347 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 5.3 mttp . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.317 0.58 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 1' ' ' LYS . . . -179.35 81.83 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 110.259 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.777 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -146.0 165.13 29.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.913 . . . . 0.0 110.204 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.777 HD23 ' C ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -131.76 0.15 3.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.177 -0.952 . . . . 0.0 110.121 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.06 65.84 6.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.24 -0.912 . . . . 0.0 110.46 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 17.15 2.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.342 -0.849 . . . . 0.0 109.897 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -142.67 71.23 1.34 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.214 -0.929 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -134.17 -2.37 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.148 -0.97 . . . . 0.0 110.748 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.56 -8.24 19.1 Favored Glycine 0 N--CA 1.494 2.562 0 O-C-N 121.224 -0.923 . . . . 0.0 110.804 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 10' ' ' ILE . 7.8 mt -89.84 -4.73 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.057 -1.261 . . . . 0.0 110.474 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.33 -23.35 74.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -36.6 19.96 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.692 -0.887 . . . . 0.0 109.864 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.81 -45.41 94.53 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 121.813 0.816 . . . . 0.0 109.618 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.01 -31.99 72.43 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.773 0.797 . . . . 0.0 109.571 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.533 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -82.23 -37.7 25.6 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.832 0.825 . . . . 0.0 109.554 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -16.5 63.96 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-O 121.648 0.737 . . . . 0.0 109.419 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 21' ' ' NH2 . . . -81.48 -36.29 29.48 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.892 0.853 . . . . 0.0 108.903 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HE3' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -71.18 -15.46 62.48 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.725 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 10.1 mmmm -85.96 -21.9 27.65 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.755 0.788 . . . . 0.0 109.99 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -116.82 -38.32 3.46 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.853 -0.529 . . . . 0.0 110.224 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.915 -1.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.208 0.528 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.96 52.96 1.11 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.197 -0.94 . . . . 0.0 110.54 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -160.04 158.83 31.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.016 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 6' ' ' LYS . 43.2 mt -138.21 45.63 2.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.271 -0.893 . . . . 0.0 110.045 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -62.6 72.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.437 -0.789 . . . . 0.0 110.305 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 4' ' ' LEU . 8.3 mttp -141.0 10.89 2.19 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.421 -0.799 . . . . 0.0 109.545 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -134.37 138.37 44.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.786 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.02 -105.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.307 -0.87 . . . . 0.0 109.58 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.57 -9.5 52.77 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.586 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.7 mm -90.0 -10.25 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.498 -1.001 . . . . 0.0 110.355 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.53 -46.13 86.48 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 2.4 tttt -85.17 -24.6 27.86 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.84 -0.8 . . . . 0.0 109.66 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 46.3 t80 -50.25 -65.81 0.5 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.859 0.838 . . . . 0.0 110.045 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 10' ' ' ILE . 1.8 pp -49.33 -23.41 1.42 Allowed 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.679 0.752 . . . . 0.0 109.299 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 17.7 t-80 -73.78 -48.52 31.0 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.81 0.814 . . . . 0.0 109.233 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.3 p -63.2 -15.76 58.02 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.674 0.75 . . . . 0.0 109.007 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.26 -42.65 22.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.94 0.876 . . . . 0.0 108.797 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -71.42 -21.18 62.02 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -86.45 -17.72 33.53 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.723 0.773 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 16' ' ' SER . 4.9 t80 -105.63 69.36 0.83 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.789 -0.569 . . . . 0.0 110.455 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.295 0.569 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' C ' ' HG2' ' A' ' 3' ' ' LYS . . . -74.99 179.3 5.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.576 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.8 mmmp? -141.27 117.02 10.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -0.94 . . . . 0.0 110.153 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -147.3 36.24 0.9 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.869 . . . . 0.0 110.228 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD1' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -101.89 75.99 1.59 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.241 -0.912 . . . . 0.0 110.15 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -130.76 17.24 5.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.951 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' CB ' ' NZ ' ' A' ' 7' ' ' LYS . 1.6 ttmp? -172.23 51.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.203 -0.936 . . . . 0.0 110.081 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 5' ' ' PHE . 4.5 mt -129.26 -3.8 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.357 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.92 15.1 45.09 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' A' ' 13' ' ' PHE . 5.0 mt -64.69 -7.11 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.293 -1.122 . . . . 0.0 110.734 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -46.03 -32.59 4.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -78.47 -42.92 28.43 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.451 -1.029 . . . . 0.0 109.77 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB3' HG23 ' A' ' 10' ' ' ILE . 19.5 t80 -44.57 -50.2 9.75 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.257 1.027 . . . . 0.0 109.335 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.37 -28.43 1.34 Allowed 'General case' 0 C--N 1.289 -2.024 0 CA-C-O 121.755 0.788 . . . . 0.0 109.374 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' LYS . 2.0 t-80 -85.54 -48.89 8.51 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.685 0.755 . . . . 0.0 109.892 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -21.4 66.28 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.635 0.731 . . . . 0.0 109.437 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.45 -30.32 47.43 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.0 tttp -73.22 -12.11 60.75 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -85.51 -39.43 17.46 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.905 0.86 . . . . 0.0 109.741 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -80.31 68.87 6.62 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.845 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.312 0.577 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.93 80.36 1.66 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.346 -0.846 . . . . 0.0 109.779 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -152.42 -165.55 2.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.925 . . . . 0.0 110.6 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mp -131.43 18.91 4.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.595 -0.691 . . . . 0.0 110.323 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -92.41 102.52 14.99 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.116 -0.99 . . . . 0.0 110.356 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.3 15.68 2.22 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.448 -0.782 . . . . 0.0 109.756 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.09 131.95 25.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.377 -0.827 . . . . 0.0 110.847 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.94 -4.45 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.362 -0.836 . . . . 0.0 110.447 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.3 -5.31 81.37 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 HD12 ' A' ' 14' ' ' LEU . 4.4 mt -120.52 -14.73 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -1.191 . . . . 0.0 110.459 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -50.71 64.68 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -23.78 27.15 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.765 -0.844 . . . . 0.0 110.374 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -52.64 41.12 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD12 HG22 ' A' ' 10' ' ' ILE . 21.8 mt -63.35 -21.67 66.41 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.787 0.803 . . . . 0.0 109.295 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.48 -42.03 15.98 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.729 0.776 . . . . 0.0 109.561 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -12.25 61.02 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.11 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.65 -38.18 23.85 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.811 0.815 . . . . 0.0 109.03 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -17.89 63.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -18.16 31.55 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.588 0.708 . . . . 0.0 110.329 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -115.57 -8.28 12.14 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.264 0.554 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.21 174.11 11.63 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.306 -0.871 . . . . 0.0 110.072 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -169.86 94.38 0.26 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.179 -0.951 . . . . 0.0 111.041 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 3' ' ' LYS . 90.2 mt -142.66 48.7 1.52 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.187 -0.945 . . . . 0.0 109.325 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.38 103.12 0.09 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.457 -0.777 . . . . 0.0 111.393 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -140.76 17.4 2.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.532 -0.73 . . . . 0.0 109.091 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.98 119.31 19.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.614 -0.679 . . . . 0.0 110.186 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt -127.19 -79.88 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.168 -0.958 . . . . 0.0 110.509 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.42 -7.34 3.67 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mm -62.26 -11.31 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -1.161 . . . . 0.0 110.258 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.87 69.28 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 108.716 -1.753 . . . . 0.0 108.716 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -85.49 -34.63 21.54 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.761 -0.846 . . . . 0.0 109.881 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -49.92 -58.9 4.49 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.947 0.879 . . . . 0.0 109.865 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -52.5 -21.27 3.58 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.658 0.742 . . . . 0.0 109.595 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.5 -38.21 26.65 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.862 0.839 . . . . 0.0 109.329 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -26.26 62.37 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.84 0.829 . . . . 0.0 108.838 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.51 -38.07 62.92 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -16.71 64.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -86.2 -46.03 10.77 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.663 0.744 . . . . 0.0 110.296 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -116.83 -66.0 1.13 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.678 -0.639 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.76 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 2.0 ttmm . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.328 0.585 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 65.93 63.17 0.59 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.275 -0.89 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -177.94 174.07 1.46 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.2 -0.938 . . . . 0.0 110.448 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -147.5 44.13 1.11 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.271 -0.893 . . . . 0.0 110.126 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.16 51.84 1.03 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.289 -0.882 . . . . 0.0 110.239 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.439 ' HA ' ' NZ ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -128.81 10.73 6.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.334 -0.854 . . . . 0.0 109.315 179.35 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' ' 10' ' ' ILE . 13.2 pttt -167.58 140.65 3.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.464 -0.772 . . . . 0.0 109.777 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.54 -4.2 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.0 110.461 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.33 -12.0 29.85 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 7' ' ' LYS . 42.9 mt -65.18 -42.99 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.212 -1.169 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -19.24 32.18 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -86.08 -43.86 12.74 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.539 -0.977 . . . . 0.0 109.846 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.23 -54.39 44.02 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.252 -0.905 . . . . 0.0 109.15 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 mp -55.26 -26.68 41.53 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.875 0.845 . . . . 0.0 109.043 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -71.46 -39.13 71.13 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.999 0.904 . . . . 0.0 108.851 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -63.0 -14.28 45.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -77.88 -49.4 14.3 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.707 0.765 . . . . 0.0 109.037 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.65 64.92 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -86.13 -18.6 31.87 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.702 0.763 . . . . 0.0 109.707 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' SER . 14.1 t80 -98.07 -52.78 3.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' ALA . 1.3 ttmt . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.262 0.553 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' LYS . . . 43.82 79.09 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.222 -0.924 . . . . 0.0 109.854 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 12.3 tttm -174.2 156.52 2.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.891 . . . . 0.0 110.4 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' LYS . 2.5 mt -130.63 31.07 4.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.349 -0.845 . . . . 0.0 109.541 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -64.5 68.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.401 -0.812 . . . . 0.0 110.798 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 4' ' ' LEU . 14.8 tttm -130.18 17.69 5.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.313 -0.867 . . . . 0.0 109.179 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.08 127.1 31.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.563 -0.711 . . . . 0.0 109.661 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.577 ' H ' HD12 ' A' ' 10' ' ' ILE . 4.3 mt -126.74 -60.66 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.167 -0.958 . . . . 0.0 110.071 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.43 5.01 3.79 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.684 -1.366 . . . . 0.0 109.684 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 8' ' ' ILE . 1.1 mp -69.84 -13.06 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.118 -1.225 . . . . 0.0 110.123 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.2 53.4 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -76.13 -2.4 30.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.882 -0.775 . . . . 0.0 109.741 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.7 t80 -61.93 -53.44 55.64 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.233 -0.917 . . . . 0.0 109.79 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.46 -21.12 9.0 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.799 0.809 . . . . 0.0 109.159 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.02 -51.28 9.81 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.856 0.836 . . . . 0.0 109.03 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . 41.0 m -62.0 -13.86 29.84 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.49 -42.91 28.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.72 0.771 . . . . 0.0 109.06 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -13.8 60.88 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -85.49 -22.72 28.09 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.725 0.774 . . . . 0.0 109.58 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -116.58 55.91 0.81 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.585 -0.697 . . . . 0.0 110.246 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.296 0.57 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.2 81.91 0.06 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -152.07 89.84 1.48 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.224 -0.923 . . . . 0.0 110.006 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 4' ' ' LEU . 35.8 mt -133.15 6.62 3.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.298 -0.876 . . . . 0.0 110.391 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.14 47.0 1.0 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.158 -0.964 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.03 20.46 3.01 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.512 -0.743 . . . . 0.0 109.149 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -148.05 136.93 21.89 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.037 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.619 HG22 HG13 ' A' ' 10' ' ' ILE . 1.9 mt -136.22 -102.13 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.489 -0.757 . . . . 0.0 109.997 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.96 1.0 4.18 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 8' ' ' ILE . 16.2 mt -89.66 -5.99 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.182 -1.187 . . . . 0.0 110.256 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -59.82 -71.46 0.77 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -62.36 -10.1 10.22 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.713 -0.875 . . . . 0.0 110.531 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -58.59 -62.71 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.082 -1.011 . . . . 0.0 110.027 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -52.99 -20.67 3.61 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.301 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -71.09 -36.88 72.39 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 122.072 0.939 . . . . 0.0 108.829 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 t -61.97 -26.53 68.26 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.648 0.737 . . . . 0.0 109.271 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.88 76.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.799 0.809 . . . . 0.0 108.878 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -12.12 60.22 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -84.71 -23.1 29.49 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 121.718 0.77 . . . . 0.0 109.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -116.68 -62.16 1.62 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.737 -0.602 . . . . 0.0 110.364 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.891 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.241 0.544 . . . . 0.0 110.116 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.11 65.98 1.29 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 110.223 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.468 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.1 tptm -148.61 84.27 1.48 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 110.198 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -161.64 31.69 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.247 -0.908 . . . . 0.0 110.198 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -99.51 57.15 1.02 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.275 -0.891 . . . . 0.0 110.31 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -130.08 10.59 5.43 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.842 . . . . 0.0 109.767 179.684 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 177.79 148.19 0.16 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.349 -0.844 . . . . 0.0 110.259 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.23 -108.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.209 -0.932 . . . . 0.0 109.677 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.94 -51.92 4.4 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mm -104.36 -6.85 9.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 121.786 -0.832 . . . . 0.0 110.31 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.98 -25.08 69.09 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 11.1 tptm -85.47 -34.59 21.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.688 -0.889 . . . . 0.0 109.797 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.89 -65.55 0.54 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.305 -0.872 . . . . 0.0 109.889 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 15' ' ' HIS . 1.8 pp -55.5 -18.99 8.32 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.759 0.79 . . . . 0.0 109.279 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 7.8 t-80 -79.8 -41.1 27.18 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.762 0.792 . . . . 0.0 109.7 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -18.39 63.62 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.561 0.696 . . . . 0.0 109.713 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.3 -40.02 27.63 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.895 0.855 . . . . 0.0 108.929 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -69.55 -15.0 63.14 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -17.33 36.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.628 -0.67 . . . . 0.0 109.981 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -107.62 3.17 24.51 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.457 -0.777 . . . . 0.0 110.109 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.236 0.541 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.56 125.03 42.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 0.0 109.931 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.79 172.06 14.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.252 -0.905 . . . . 0.0 110.41 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.6 mt -131.56 30.47 4.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 0.0 109.947 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.95 55.83 0.57 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.128 -0.982 . . . . 0.0 110.438 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -131.44 10.18 4.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.474 -0.766 . . . . 0.0 109.169 179.144 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HB3' HG13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -170.96 173.23 5.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.507 -0.746 . . . . 0.0 109.586 -179.73 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.12 -5.32 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.995 -1.066 . . . . 0.0 110.819 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' PHE . . . -107.26 9.14 38.8 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.541 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 7.3 mt -60.83 -13.8 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -1.198 . . . . 0.0 110.211 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.67 -67.75 1.95 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -81.97 6.97 14.33 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.647 -0.913 . . . . 0.0 110.234 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -75.03 -41.75 58.61 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.169 -0.957 . . . . 0.0 109.456 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.493 ' C ' HD12 ' A' ' 14' ' ' LEU . 4.1 pp -63.08 -21.11 65.95 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 121.774 0.797 . . . . 0.0 109.295 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' LEU . 4.0 t-80 -85.16 -47.92 9.65 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.856 0.836 . . . . 0.0 109.359 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -18.51 64.36 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.72 0.771 . . . . 0.0 108.936 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.24 47.11 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -73.27 -11.33 60.46 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -28.42 24.99 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.729 0.776 . . . . 0.0 109.871 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.09 41.51 1.95 Allowed 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.738 -0.601 . . . . 0.0 110.48 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.82 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.226 0.536 . . . . 0.0 110.101 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 54.69 75.32 0.3 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.924 . . . . 0.0 110.134 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 4' ' ' LEU . 2.4 ttmp? -166.89 72.81 0.13 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.271 -0.893 . . . . 0.0 110.005 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.2 pp -178.49 52.15 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.166 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -73.88 54.13 0.49 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.088 -1.007 . . . . 0.0 110.3 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -133.69 11.46 4.03 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.419 -0.801 . . . . 0.0 109.672 179.659 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 10.2 pttt -178.11 148.76 0.52 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.24 -0.913 . . . . 0.0 111.005 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mt -127.9 -105.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.469 -0.769 . . . . 0.0 109.527 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.68 2.8 86.27 Favored Glycine 0 N--CA 1.492 2.381 0 O-C-N 120.853 -1.154 . . . . 0.0 110.311 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 49.0 mt -62.31 -11.29 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.051 -1.264 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -45.11 -76.82 0.11 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 3.2 mtmm -47.06 -27.28 1.29 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.843 -0.798 . . . . 0.0 110.896 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 6.8 t80 -52.77 -60.98 2.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.034 -1.042 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -19.88 4.15 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.709 0.766 . . . . 0.0 109.361 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 8.3 t-80 -79.3 -47.01 16.61 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.787 0.803 . . . . 0.0 110.065 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -18.2 58.61 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.586 0.708 . . . . 0.0 109.674 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . -79.39 -38.42 34.92 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.974 0.892 . . . . 0.0 108.686 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -66.91 -18.51 65.42 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -46.48 10.41 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.757 0.789 . . . . 0.0 110.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' A' ' 17' ' ' ALA . 3.9 t80 -111.77 -169.49 1.47 Allowed 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.713 -0.617 . . . . 0.0 110.097 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.2 pttt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.176 0.513 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.49 163.96 19.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.242 -0.911 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.24 132.85 38.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.0 110.224 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.809 ' H ' HD23 ' A' ' 4' ' ' LEU . 2.2 pt? -134.34 23.7 3.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.189 -0.945 . . . . 0.0 110.309 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -88.53 56.54 3.83 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.164 -0.96 . . . . 0.0 110.102 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -129.52 17.72 5.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 0.0 109.237 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -139.09 178.06 7.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.659 -0.65 . . . . 0.0 109.435 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 10' ' ' ILE . 3.6 mt -126.99 -78.83 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.013 -1.054 . . . . 0.0 110.76 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.82 -8.73 54.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 8.9 mt -88.05 -15.24 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -1.179 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.75 -70.16 1.08 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -56.16 -20.17 16.62 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.766 -0.844 . . . . 0.0 109.573 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -63.99 -48.04 77.95 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 121.989 0.9 . . . . 0.0 109.36 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.53 -35.19 65.38 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.77 0.795 . . . . 0.0 109.769 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -42.07 23.01 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.801 0.81 . . . . 0.0 109.751 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.9 m -65.08 -17.31 64.35 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.684 0.754 . . . . 0.0 109.394 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.65 -42.85 27.6 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.73 0.776 . . . . 0.0 109.191 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -16.35 62.44 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.75 20.34 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.634 0.73 . . . . 0.0 110.26 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.21 -70.43 0.81 Allowed 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.709 -0.619 . . . . 0.0 110.383 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.216 0.531 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.5 91.39 3.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.246 -0.909 . . . . 0.0 110.048 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -150.74 133.41 15.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.15 -0.969 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mt -130.66 5.12 4.65 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 109.604 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.739 ' CD2' HD11 ' A' ' 8' ' ' ILE . 2.7 m-30 -98.79 102.38 14.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.361 -0.837 . . . . 0.0 109.952 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -130.0 14.02 5.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.392 -0.817 . . . . 0.0 109.824 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -169.35 91.3 0.23 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.035 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.739 HD11 ' CD2' ' A' ' 5' ' ' PHE . 3.8 mt -127.5 -5.82 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.314 -0.866 . . . . 0.0 110.393 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.96 103.84 2.91 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 30.1 mt -83.3 -1.71 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.535 -0.979 . . . . 0.0 110.499 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.788 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -50.19 -84.32 0.02 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -14.42 6.71 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.861 . . . . 0.0 110.576 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.9 t80 -56.63 -38.76 72.54 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.104 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 11' ' ' GLY . 1.1 mt -54.03 -25.81 23.24 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.825 0.821 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.78 -46.35 65.97 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.987 0.899 . . . . 0.0 109.459 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -14.14 33.64 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.374 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -80.47 -38.78 29.3 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.873 0.844 . . . . 0.0 109.156 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -69.92 -17.87 63.35 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.714 0.768 . . . . 0.0 108.99 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -18.21 32.92 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.6 0.714 . . . . 0.0 109.904 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -116.44 81.39 1.61 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.552 -0.718 . . . . 0.0 110.261 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 10' ' ' ILE . 21.0 mt . . . . . 0 N--CA 1.495 1.795 0 CA-C-O 121.281 0.562 . . . . 0.0 110.425 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.28 -83.44 0.04 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -44.7 -31.26 1.12 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.726 -0.867 . . . . 0.0 110.174 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.139 -0.975 . . . . 0.0 109.805 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.86 -19.53 12.13 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.615 0.721 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -33.96 56.65 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.389 -0.819 . . . . 0.0 109.555 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 m -69.15 -21.94 63.97 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.805 0.812 . . . . 0.0 109.17 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.07 70.98 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.753 0.787 . . . . 0.0 108.982 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -14.53 61.52 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 119.671 -0.811 . . . . 0.0 108.93 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -22.12 31.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.643 -0.66 . . . . 0.0 110.462 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.773 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.554 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 13.2 mm . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.292 0.567 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.24 -60.65 3.47 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.92 4.57 32.87 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.797 -0.825 . . . . 0.0 110.349 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.1 t80 -58.58 -49.86 75.9 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.075 -1.016 . . . . 0.0 109.923 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.55 -16.97 11.58 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.344 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -81.94 -50.69 8.87 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.637 0.732 . . . . 0.0 109.951 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -61.37 -15.07 32.7 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.18 -37.23 38.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.885 0.85 . . . . 0.0 108.981 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -18.15 65.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -12.25 51.42 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.613 0.721 . . . . 0.0 109.774 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 . . . . . 0 C--N 1.299 -1.597 0 O-C-N 121.609 -0.682 . . . . 0.0 110.642 -179.485 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 10' ' ' ILE . 23.0 mm . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 121.288 0.566 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.65 -37.57 68.59 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -15.99 40.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.586 -0.95 . . . . 0.0 110.277 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.49 -51.0 70.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.937 . . . . 0.0 109.539 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.01 -19.21 4.42 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.508 0.671 . . . . 0.0 109.765 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -83.51 -51.63 7.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.436 -0.79 . . . . 0.0 109.789 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -66.18 -22.64 66.36 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.745 0.783 . . . . 0.0 109.362 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.1 45.07 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -9.63 58.89 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.35 34.16 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.87 0.843 . . . . 0.0 109.004 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 . . . . . 0 C--N 1.298 -1.65 0 C-N-CA 120.214 -0.595 . . . . 0.0 109.974 179.707 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.403 HG23 ' HB3' ' A' ' 13' ' ' PHE . 9.9 mt . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.244 0.545 . . . . 0.0 110.426 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.63 -26.54 3.94 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -80.22 -52.36 7.83 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.709 -0.877 . . . . 0.0 109.188 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 10' ' ' ILE . 15.6 t80 -57.16 -45.36 83.68 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.342 1.067 . . . . 0.0 108.426 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -31.06 39.52 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.569 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -75.78 -48.69 20.68 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.815 0.817 . . . . 0.0 109.161 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -18.73 64.7 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.792 0.806 . . . . 0.0 109.056 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.56 -33.12 42.06 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 108.807 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -75.14 -12.24 60.26 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -31.46 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.832 0.825 . . . . 0.0 109.777 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 . . . . . 0 C--N 1.297 -1.704 0 O-C-N 121.774 -0.579 . . . . 0.0 110.353 -179.729 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.494 HG22 ' HG ' ' A' ' 14' ' ' LEU . 9.7 mt . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.244 0.545 . . . . 0.0 110.067 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.02 -23.41 7.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -44.55 12.61 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.899 . . . . 0.0 109.966 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.47 -45.43 84.84 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 108.942 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.494 ' HG ' HG22 ' A' ' 10' ' ' ILE . 75.8 mt -58.44 -23.21 56.91 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.684 0.754 . . . . 0.0 109.461 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -85.09 -48.61 9.02 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.815 0.816 . . . . 0.0 109.703 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -63.75 -18.44 64.06 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.725 0.774 . . . . 0.0 109.278 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.32 32.03 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.952 0.882 . . . . 0.0 108.97 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 13.4 tttp -71.57 -17.11 62.32 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -86.78 -26.49 24.11 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.617 0.722 . . . . 0.0 110.3 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 . . . . . 0 C--N 1.297 -1.709 0 O-C-N 121.54 -0.725 . . . . 0.0 110.325 -179.438 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.9 mt . . . . . 0 N--CA 1.488 1.472 0 CA-C-O 121.419 0.628 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.87 -35.16 19.75 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.792 -0.828 . . . . 0.0 109.119 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -48.5 -67.39 0.27 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.776 0.798 . . . . 0.0 109.908 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -50.37 -22.46 1.85 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.77 0.795 . . . . 0.0 109.211 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.71 -50.01 11.24 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.734 0.778 . . . . 0.0 108.934 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -69.72 -16.99 63.43 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.44 56.3 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -70.14 -14.36 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -33.25 51.27 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.88 0.848 . . . . 0.0 109.032 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.297 -1.7 0 O-C-N 121.815 -0.553 . . . . 0.0 109.882 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 mt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.271 0.558 . . . . 0.0 110.677 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.76 -31.94 28.32 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -85.47 -12.14 52.57 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.577 -0.955 . . . . 0.0 109.571 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.93 -69.18 0.15 Allowed 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.764 0.792 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -51.55 -20.42 1.93 Allowed 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.591 0.71 . . . . 0.0 109.872 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -35.61 20.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.715 0.769 . . . . 0.0 110.552 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -61.59 -42.32 98.69 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.489 0.661 . . . . 0.0 110.576 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.51 70.17 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.859 0.837 . . . . 0.0 108.783 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 3.7 mtmm -72.75 -12.43 61.01 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -18.82 32.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.44 -0.788 . . . . 0.0 110.185 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.477 -0.765 . . . . 0.0 110.347 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 10' ' ' ILE . 7.8 mt . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.225 0.536 . . . . 0.0 110.474 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.33 -23.35 74.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -36.6 19.96 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.692 -0.887 . . . . 0.0 109.864 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.81 -45.41 94.53 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 121.813 0.816 . . . . 0.0 109.618 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.01 -31.99 72.43 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.773 0.797 . . . . 0.0 109.571 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.533 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -82.23 -37.7 25.6 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.832 0.825 . . . . 0.0 109.554 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -16.5 63.96 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-O 121.648 0.737 . . . . 0.0 109.419 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.48 -36.29 29.48 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.892 0.853 . . . . 0.0 108.903 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HE3' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -71.18 -15.46 62.48 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 10.1 mmmm -85.96 -21.9 27.65 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.755 0.788 . . . . 0.0 109.99 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 . . . . . 0 C--N 1.296 -1.745 0 O-C-N 121.853 -0.529 . . . . 0.0 110.224 -179.119 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.586 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.7 mm . . . . . 0 N--CA 1.489 1.511 0 CA-C-O 121.38 0.609 . . . . 0.0 110.355 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.53 -46.13 86.48 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 2.4 tttt -85.17 -24.6 27.86 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.84 -0.8 . . . . 0.0 109.66 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 46.3 t80 -50.25 -65.81 0.5 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.859 0.838 . . . . 0.0 110.045 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 10' ' ' ILE . 1.8 pp -49.33 -23.41 1.42 Allowed 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.679 0.752 . . . . 0.0 109.299 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 17.7 t-80 -73.78 -48.52 31.0 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.81 0.814 . . . . 0.0 109.233 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.3 p -63.2 -15.76 58.02 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.674 0.75 . . . . 0.0 109.007 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.26 -42.65 22.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.94 0.876 . . . . 0.0 108.797 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -71.42 -21.18 62.02 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -86.45 -17.72 33.53 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.723 0.773 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 16' ' ' SER . 4.9 t80 . . . . . 0 C--N 1.299 -1.624 0 O-C-N 121.789 -0.569 . . . . 0.0 110.455 -179.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' A' ' 13' ' ' PHE . 5.0 mt . . . . . 0 N--CA 1.494 1.762 0 CA-C-O 121.169 0.509 . . . . 0.0 110.734 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -46.03 -32.59 4.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -78.47 -42.92 28.43 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.451 -1.029 . . . . 0.0 109.77 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB3' HG23 ' A' ' 10' ' ' ILE . 19.5 t80 -44.57 -50.2 9.75 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.257 1.027 . . . . 0.0 109.335 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.37 -28.43 1.34 Allowed 'General case' 0 C--N 1.289 -2.024 0 CA-C-O 121.755 0.788 . . . . 0.0 109.374 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' LYS . 2.0 t-80 -85.54 -48.89 8.51 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.685 0.755 . . . . 0.0 109.892 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -21.4 66.28 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.635 0.731 . . . . 0.0 109.437 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.45 -30.32 47.43 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.0 tttp -73.22 -12.11 60.75 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.482 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -85.51 -39.43 17.46 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.905 0.86 . . . . 0.0 109.741 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.3 t80 . . . . . 0 C--N 1.295 -1.802 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.835 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 HD12 ' A' ' 14' ' ' LEU . 4.4 mt . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.471 0.653 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -50.71 64.68 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -23.78 27.15 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.765 -0.844 . . . . 0.0 110.374 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -52.64 41.12 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.562 HD12 HG22 ' A' ' 10' ' ' ILE . 21.8 mt -63.35 -21.67 66.41 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.787 0.803 . . . . 0.0 109.295 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.48 -42.03 15.98 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.729 0.776 . . . . 0.0 109.561 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -12.25 61.02 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.11 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.65 -38.18 23.85 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.811 0.815 . . . . 0.0 109.03 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -17.89 63.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -18.16 31.55 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.588 0.708 . . . . 0.0 110.329 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 t80 . . . . . 0 C--N 1.298 -1.635 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 -179.649 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mm . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.363 0.601 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.87 69.28 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 108.716 -1.753 . . . . 0.0 108.716 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -85.49 -34.63 21.54 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.761 -0.846 . . . . 0.0 109.881 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -49.92 -58.9 4.49 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.947 0.879 . . . . 0.0 109.865 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -52.5 -21.27 3.58 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.658 0.742 . . . . 0.0 109.595 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.5 -38.21 26.65 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.862 0.839 . . . . 0.0 109.329 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -26.26 62.37 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.84 0.829 . . . . 0.0 108.838 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.51 -38.07 62.92 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -16.71 64.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -86.2 -46.03 10.77 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.663 0.744 . . . . 0.0 110.296 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 . . . . . 0 C--N 1.296 -1.752 0 O-C-N 121.678 -0.639 . . . . 0.0 110.272 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 42.9 mt . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 121.656 0.741 . . . . 0.0 110.247 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -19.24 32.18 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -86.08 -43.86 12.74 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.539 -0.977 . . . . 0.0 109.846 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.23 -54.39 44.02 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.252 -0.905 . . . . 0.0 109.15 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 mp -55.26 -26.68 41.53 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.875 0.845 . . . . 0.0 109.043 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -71.46 -39.13 71.13 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.999 0.904 . . . . 0.0 108.851 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -63.0 -14.28 45.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -77.88 -49.4 14.3 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.707 0.765 . . . . 0.0 109.037 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.65 64.92 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -86.13 -18.6 31.87 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.702 0.763 . . . . 0.0 109.707 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' SER . 14.1 t80 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.542 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 1.1 mp . . . . . 0 N--CA 1.491 1.583 0 CA-C-O 121.483 0.659 . . . . 0.0 110.123 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.2 53.4 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -76.13 -2.4 30.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.882 -0.775 . . . . 0.0 109.741 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.7 t80 -61.93 -53.44 55.64 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.233 -0.917 . . . . 0.0 109.79 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.46 -21.12 9.0 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.799 0.809 . . . . 0.0 109.159 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.02 -51.28 9.81 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.856 0.836 . . . . 0.0 109.03 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . 41.0 m -62.0 -13.86 29.84 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.49 -42.91 28.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.72 0.771 . . . . 0.0 109.06 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -13.8 60.88 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -85.49 -22.72 28.09 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.725 0.774 . . . . 0.0 109.58 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.585 -0.697 . . . . 0.0 110.246 -179.861 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.522 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 16.2 mt . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 121.362 0.601 . . . . 0.0 110.256 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -59.82 -71.46 0.77 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -62.36 -10.1 10.22 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.713 -0.875 . . . . 0.0 110.531 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -58.59 -62.71 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.082 -1.011 . . . . 0.0 110.027 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -52.99 -20.67 3.61 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.301 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -71.09 -36.88 72.39 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 122.072 0.939 . . . . 0.0 108.829 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 t -61.97 -26.53 68.26 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.648 0.737 . . . . 0.0 109.271 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.88 76.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.799 0.809 . . . . 0.0 108.878 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -12.12 60.22 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -84.71 -23.1 29.49 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 121.718 0.77 . . . . 0.0 109.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.2 t80 . . . . . 0 C--N 1.298 -1.645 0 O-C-N 121.737 -0.602 . . . . 0.0 110.364 -179.47 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mm . . . . . 0 N--CA 1.489 1.498 0 CA-C-O 121.346 0.593 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.98 -25.08 69.09 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 11.1 tptm -85.47 -34.59 21.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.688 -0.889 . . . . 0.0 109.797 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.89 -65.55 0.54 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.305 -0.872 . . . . 0.0 109.889 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 15' ' ' HIS . 1.8 pp -55.5 -18.99 8.32 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.759 0.79 . . . . 0.0 109.279 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 7.8 t-80 -79.8 -41.1 27.18 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.762 0.792 . . . . 0.0 109.7 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -18.39 63.62 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.561 0.696 . . . . 0.0 109.713 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.3 -40.02 27.63 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.895 0.855 . . . . 0.0 108.929 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -69.55 -15.0 63.14 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -17.33 36.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.628 -0.67 . . . . 0.0 109.981 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.3 -1.569 0 O-C-N 121.457 -0.777 . . . . 0.0 110.109 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.541 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 7.3 mt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.448 0.642 . . . . 0.0 110.211 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.67 -67.75 1.95 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -81.97 6.97 14.33 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.647 -0.913 . . . . 0.0 110.234 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -75.03 -41.75 58.61 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.169 -0.957 . . . . 0.0 109.456 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 14' ' ' LEU . 4.1 pp -63.08 -21.11 65.95 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 121.774 0.797 . . . . 0.0 109.295 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' LEU . 4.0 t-80 -85.16 -47.92 9.65 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.856 0.836 . . . . 0.0 109.359 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -18.51 64.36 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.72 0.771 . . . . 0.0 108.936 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.24 47.11 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -73.27 -11.33 60.46 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -28.42 24.99 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.729 0.776 . . . . 0.0 109.871 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 t80 . . . . . 0 C--N 1.296 -1.751 0 O-C-N 121.738 -0.601 . . . . 0.0 110.48 -179.529 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 49.0 mt . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.424 0.631 . . . . 0.0 110.405 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -45.11 -76.82 0.11 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 3.2 mtmm -47.06 -27.28 1.29 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.843 -0.798 . . . . 0.0 110.896 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 6.8 t80 -52.77 -60.98 2.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.034 -1.042 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -19.88 4.15 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.709 0.766 . . . . 0.0 109.361 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 8.3 t-80 -79.3 -47.01 16.61 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.787 0.803 . . . . 0.0 110.065 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -18.2 58.61 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.586 0.708 . . . . 0.0 109.674 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . -79.39 -38.42 34.92 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.974 0.892 . . . . 0.0 108.686 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -66.91 -18.51 65.42 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -46.48 10.41 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.757 0.789 . . . . 0.0 110.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' A' ' 17' ' ' ALA . 3.9 t80 . . . . . 0 C--N 1.295 -1.784 0 O-C-N 121.713 -0.617 . . . . 0.0 110.097 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 8.9 mt . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.468 0.651 . . . . 0.0 110.239 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.75 -70.16 1.08 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -56.16 -20.17 16.62 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.766 -0.844 . . . . 0.0 109.573 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -63.99 -48.04 77.95 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 121.989 0.9 . . . . 0.0 109.36 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.53 -35.19 65.38 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.77 0.795 . . . . 0.0 109.769 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -42.07 23.01 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.801 0.81 . . . . 0.0 109.751 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.9 m -65.08 -17.31 64.35 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.684 0.754 . . . . 0.0 109.394 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.65 -42.85 27.6 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.73 0.776 . . . . 0.0 109.191 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -16.35 62.44 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.75 20.34 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.634 0.73 . . . . 0.0 110.26 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.295 -1.775 0 O-C-N 121.709 -0.619 . . . . 0.0 110.383 -179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 30.1 mt . . . . . 0 N--CA 1.494 1.733 0 CA-C-O 121.302 0.573 . . . . 0.0 110.499 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . 0.788 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -50.19 -84.32 0.02 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -14.42 6.71 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.861 . . . . 0.0 110.576 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' PHE . . . . . 0.597 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.9 t80 -56.63 -38.76 72.54 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.104 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 11' ' ' GLY . 1.1 mt -54.03 -25.81 23.24 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.825 0.821 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.78 -46.35 65.97 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.987 0.899 . . . . 0.0 109.459 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -14.14 33.64 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.374 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -80.47 -38.78 29.3 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.873 0.844 . . . . 0.0 109.156 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -69.92 -17.87 63.35 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.714 0.768 . . . . 0.0 108.99 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -18.21 32.92 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.6 0.714 . . . . 0.0 109.904 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 . . . . . 0 C--N 1.298 -1.634 0 O-C-N 121.552 -0.718 . . . . 0.0 110.261 -179.401 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 18.3 mtpt . . . . . 0 N--CA 1.493 1.699 0 CA-C-O 121.232 0.539 . . . . 0.0 110.16 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.73 99.24 2.97 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.176 -0.953 . . . . 0.0 110.552 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -137.25 95.7 3.14 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.403 -0.811 . . . . 0.0 109.426 179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.6 pp -158.44 20.66 0.23 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.301 -0.874 . . . . 0.0 110.679 -179.095 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -70.18 76.64 0.52 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.193 -0.942 . . . . 0.0 110.229 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.6 pttm -143.98 13.64 1.67 Allowed 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.257 -0.902 . . . . 0.0 109.569 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.37 142.93 37.54 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 119.355 -0.938 . . . . 0.0 111.524 -179.075 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.0 mt -130.35 -4.88 2.57 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.555 -0.715 . . . . 0.0 110.289 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -89.78 17.59 51.93 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 110.7 -0.96 . . . . 0.0 110.7 -179.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 10' ' ' ILE . 21.0 mt -81.67 -5.11 8.39 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.08 -1.247 . . . . 0.0 110.425 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.28 -83.44 0.04 OUTLIER Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.269 -1.532 . . . . 0.0 109.269 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 6.8 ttpp -44.7 -31.26 1.12 Allowed 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.726 -0.867 . . . . 0.0 110.174 179.77 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -57.48 -47.31 82.23 Favored 'General case' 0 C--N 1.304 -1.377 0 O-C-N 121.139 -0.975 . . . . 0.0 109.805 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -55.86 -19.53 12.13 Favored 'General case' 0 C--N 1.292 -1.914 0 CA-C-O 121.615 0.721 . . . . 0.0 110.062 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -77.14 -33.96 56.65 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 121.389 -0.819 . . . . 0.0 109.555 179.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 34.6 m -69.15 -21.94 63.97 Favored 'General case' 0 C--N 1.293 -1.878 0 CA-C-O 121.805 0.812 . . . . 0.0 109.17 179.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.53 -39.07 70.98 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-O 121.753 0.787 . . . . 0.0 108.982 178.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.76 -14.53 61.52 Favored 'General case' 0 C--N 1.296 -1.727 0 C-N-CA 119.671 -0.811 . . . . 0.0 108.93 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -22.12 31.39 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.643 -0.66 . . . . 0.0 110.462 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -110.92 56.46 0.63 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.406 -0.809 . . . . 0.0 110.074 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.326 0 O-C-N 119.713 -1.867 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 121.195 0.521 . . . . 0.0 110.118 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.46 169.56 1.67 Allowed 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.207 -0.933 . . . . 0.0 109.983 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.87 71.27 1.08 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.083 -1.01 . . . . 0.0 110.705 -179.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -132.32 27.03 4.48 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.137 -0.977 . . . . 0.0 110.13 179.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.465 ' CE1' HD12 ' A' ' 8' ' ' ILE . 1.6 m-85 -83.57 86.63 7.07 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.183 -0.948 . . . . 0.0 110.544 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 2.6 tttt -130.82 15.98 5.27 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.334 -0.854 . . . . 0.0 109.823 179.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.414 ' HB3' ' HE3' ' A' ' 7' ' ' LYS . 22.9 ttpp -170.11 52.62 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.242 -0.911 . . . . 0.0 110.634 -179.787 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.465 HD12 ' CE1' ' A' ' 5' ' ' PHE . 1.3 mt -136.55 -22.86 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.154 -0.966 . . . . 0.0 111.39 -179.834 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -114.86 -16.32 7.47 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.792 -1.323 . . . . 0.0 109.792 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.554 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 13.2 mm -91.38 -6.02 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.26 -1.141 . . . . 0.0 110.389 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -74.24 -60.65 3.47 Favored Glycine 0 N--CA 1.489 2.232 0 N-CA-C 109.345 -1.502 . . . . 0.0 109.345 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -84.92 4.57 32.87 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.797 -0.825 . . . . 0.0 110.349 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.554 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.1 t80 -58.58 -49.86 75.9 Favored 'General case' 0 N--CA 1.486 1.358 0 O-C-N 121.075 -1.016 . . . . 0.0 109.923 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mp -57.55 -16.97 11.58 Favored 'General case' 0 C--N 1.291 -1.944 0 C-N-CA 119.86 -0.736 . . . . 0.0 109.344 179.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -81.94 -50.69 8.87 Favored 'General case' 0 C--N 1.302 -1.463 0 CA-C-O 121.637 0.732 . . . . 0.0 109.951 179.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 70.0 m -61.37 -15.07 32.7 Favored 'General case' 0 C--N 1.293 -1.872 0 C-N-CA 119.653 -0.819 . . . . 0.0 109.168 179.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.18 -37.23 38.81 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-O 121.885 0.85 . . . . 0.0 108.981 178.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.18 -18.15 65.14 Favored 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.79 -12.25 51.42 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-O 121.613 0.721 . . . . 0.0 109.774 179.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -86.28 47.67 1.5 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.609 -0.682 . . . . 0.0 110.642 -179.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.799 -1.813 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.3 mtmp? . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 121.295 0.569 . . . . 0.0 110.023 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.473 ' O ' ' HB2' ' A' ' 3' ' ' LYS . . . 53.48 86.63 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.232 -0.917 . . . . 0.0 110.184 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.473 ' HB2' ' O ' ' A' ' 2' ' ' ALA . 5.6 tptt 177.22 130.56 0.05 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.251 -0.906 . . . . 0.0 109.993 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.49 ' O ' HD12 ' A' ' 4' ' ' LEU . 0.7 OUTLIER -176.75 43.2 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.123 -0.986 . . . . 0.0 110.635 -179.76 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.593 ' CD2' ' O ' ' A' ' 5' ' ' PHE . 77.3 t80 -87.5 61.91 6.82 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.089 -1.007 . . . . 0.0 110.328 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -153.74 22.23 0.52 Allowed 'General case' 0 C--N 1.296 -1.727 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.41 110.58 0.39 Allowed 'General case' 0 N--CA 1.493 1.707 0 C-N-CA 119.851 -0.739 . . . . 0.0 110.879 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -129.88 -6.01 2.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 121.24 -0.913 . . . . 0.0 110.542 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 95.42 103.48 1.94 Allowed Glycine 0 N--CA 1.489 2.173 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.409 HG23 HD12 ' A' ' 10' ' ' ILE . 23.0 mm -81.72 -5.26 8.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 121.466 -1.02 . . . . 0.0 110.423 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.65 -37.57 68.59 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -15.99 40.36 Favored 'General case' 0 C--N 1.295 -1.8 0 O-C-N 121.586 -0.95 . . . . 0.0 110.277 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 16.2 t80 -56.49 -51.0 70.14 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.2 -0.937 . . . . 0.0 109.539 179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.8 mt -54.01 -19.21 4.42 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.508 0.671 . . . . 0.0 109.765 179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -83.51 -51.63 7.18 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.436 -0.79 . . . . 0.0 109.789 179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 27.7 m -66.18 -22.64 66.36 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.745 0.783 . . . . 0.0 109.362 179.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.36 -37.1 45.07 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 178.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -73.45 -9.63 58.89 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.41 -0.959 . . . . 0.0 108.41 178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.35 34.16 Favored 'General case' 0 N--CA 1.486 1.368 0 CA-C-O 121.87 0.843 . . . . 0.0 109.004 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 t80 -117.03 150.51 38.5 Favored 'General case' 0 C--N 1.298 -1.65 0 C-N-CA 120.214 -0.595 . . . . 0.0 109.974 179.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.37 0 O-C-N 119.777 -1.827 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.685 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.2 OUTLIER . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 121.213 0.53 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.685 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 67.87 122.03 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.216 -0.927 . . . . 0.0 110.24 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.2 ttpp -137.42 116.3 12.32 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -0.904 . . . . 0.0 109.965 179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' A' ' 6' ' ' LYS . 0.7 OUTLIER -175.53 29.69 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.247 -0.908 . . . . 0.0 110.22 -179.875 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.502 ' CD1' ' C ' ' A' ' 5' ' ' PHE . 1.0 OUTLIER -61.3 79.77 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.171 -0.956 . . . . 0.0 110.207 -179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.503 ' N ' ' O ' ' A' ' 4' ' ' LEU . 24.2 mttt -151.35 16.84 0.73 Allowed 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.591 -0.693 . . . . 0.0 109.624 179.577 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.43 ' O ' HG12 ' A' ' 8' ' ' ILE . 0.6 OUTLIER -143.31 100.02 3.54 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.312 -0.867 . . . . 0.0 110.825 -179.729 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.498 HG22 ' H ' ' A' ' 10' ' ' ILE . 1.1 mt -137.48 -101.09 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.39 -0.819 . . . . 0.0 110.058 179.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.465 ' N ' HG22 ' A' ' 8' ' ' ILE . . . 143.05 -7.95 2.15 Favored Glycine 0 N--CA 1.492 2.405 0 C-N-CA 119.858 -1.163 . . . . 0.0 110.294 179.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' H ' HG22 ' A' ' 8' ' ' ILE . 9.9 mt -94.23 -6.38 10.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.009 -1.289 . . . . 0.0 110.426 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.63 -26.54 3.94 Favored Glycine 0 N--CA 1.491 2.345 0 N-CA-C 108.953 -1.659 . . . . 0.0 108.953 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.3 tttp -80.22 -52.36 7.83 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.709 -0.877 . . . . 0.0 109.188 179.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' HB3' HG23 ' A' ' 10' ' ' ILE . 15.6 t80 -57.16 -45.36 83.68 Favored 'General case' 0 C--N 1.304 -1.406 0 CA-C-O 122.342 1.067 . . . . 0.0 108.426 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.06 -31.06 39.52 Favored 'General case' 0 C--N 1.292 -1.92 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.569 179.381 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -75.78 -48.69 20.68 Favored 'General case' 0 C--N 1.297 -1.686 0 CA-C-O 121.815 0.817 . . . . 0.0 109.161 179.393 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -68.14 -18.73 64.7 Favored 'General case' 0 C--N 1.293 -1.881 0 CA-C-O 121.792 0.806 . . . . 0.0 109.056 178.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.56 -33.12 42.06 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.844 0.83 . . . . 0.0 108.807 178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.5 mttm -75.14 -12.24 60.26 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.565 -0.902 . . . . 0.0 108.565 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.95 -31.46 22.09 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-O 121.832 0.825 . . . . 0.0 109.777 179.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -99.66 136.84 38.98 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.774 -0.579 . . . . 0.0 110.353 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.357 0 O-C-N 119.943 -1.723 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.483 ' O ' ' N ' ' A' ' 3' ' ' LYS . 4.1 mttt . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.225 0.536 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.82 80.34 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.204 -0.935 . . . . 0.0 110.241 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 1' ' ' LYS . 31.8 mttt -149.56 132.41 16.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.176 -0.952 . . . . 0.0 110.342 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.721 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.6 pt? -149.63 48.61 0.95 Allowed 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.287 -0.883 . . . . 0.0 110.051 179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.819 ' CZ ' HD11 ' A' ' 10' ' ' ILE . 61.9 t80 -64.09 72.53 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.33 -0.856 . . . . 0.0 110.136 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.507 ' N ' ' O ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -136.95 8.43 2.99 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.481 -0.762 . . . . 0.0 109.943 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -175.56 83.36 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.229 -0.92 . . . . 0.0 110.737 -179.774 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.1 mt -129.0 -3.66 3.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.173 -0.955 . . . . 0.0 110.281 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.17 2.24 4.23 Favored Glycine 0 N--CA 1.489 2.223 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.819 HD11 ' CZ ' ' A' ' 5' ' ' PHE . 9.7 mt -68.69 -6.77 6.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 O-C-N 121.077 -1.249 . . . . 0.0 110.067 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.02 -23.41 7.35 Favored Glycine 0 N--CA 1.49 2.243 0 N-CA-C 108.999 -1.64 . . . . 0.0 108.999 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -44.55 12.61 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.671 -0.899 . . . . 0.0 109.966 179.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -57.47 -45.43 84.84 Favored 'General case' 0 N--CA 1.488 1.43 0 CA-C-O 122.145 0.974 . . . . 0.0 108.942 179.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.494 ' HG ' HG22 ' A' ' 10' ' ' ILE . 75.8 mt -58.44 -23.21 56.91 Favored 'General case' 0 C--N 1.292 -1.909 0 CA-C-O 121.684 0.754 . . . . 0.0 109.461 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 -85.09 -48.61 9.02 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 121.815 0.816 . . . . 0.0 109.703 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 1.4 t -63.75 -18.44 64.06 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.725 0.774 . . . . 0.0 109.278 179.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -39.32 32.03 Favored 'General case' 0 C--N 1.298 -1.653 0 CA-C-O 121.952 0.882 . . . . 0.0 108.97 178.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.432 ' HG2' ' O ' ' A' ' 18' ' ' LYS . 13.4 tttp -71.57 -17.11 62.32 Favored 'General case' 0 C--N 1.293 -1.873 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 178.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.1 tppt? -86.78 -26.49 24.11 Favored 'General case' 0 N--CA 1.491 1.62 0 CA-C-O 121.617 0.722 . . . . 0.0 110.3 179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -113.78 38.58 2.92 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 121.54 -0.725 . . . . 0.0 110.325 -179.438 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.932 -1.73 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.247 0.546 . . . . 0.0 110.088 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -133.23 119.92 20.45 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.207 -0.933 . . . . 0.0 110.076 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.9 tttm -164.19 53.57 0.14 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.249 -0.907 . . . . 0.0 110.081 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.638 ' C ' HD12 ' A' ' 4' ' ' LEU . 1.8 pp -152.02 46.1 0.76 Allowed 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.317 -0.864 . . . . 0.0 110.107 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.508 ' CD1' ' N ' ' A' ' 5' ' ' PHE . 6.6 m-30 -55.72 116.43 2.92 Favored 'General case' 0 C--N 1.306 -1.3 0 O-C-N 121.271 -0.893 . . . . 0.0 110.109 179.739 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -129.82 2.46 4.89 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.456 -0.778 . . . . 0.0 109.907 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -142.95 43.9 1.57 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.279 -0.888 . . . . 0.0 110.38 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.1 mt -131.96 -4.68 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.533 -0.729 . . . . 0.0 110.463 179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.15 -17.12 78.72 Favored Glycine 0 N--CA 1.489 2.207 0 N-CA-C 108.893 -1.683 . . . . 0.0 108.893 179.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.423 ' O ' HD12 ' A' ' 14' ' ' LEU . 8.9 mt -100.06 -10.65 8.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 121.547 -0.972 . . . . 0.0 109.671 179.413 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.87 -35.16 19.75 Favored Glycine 0 N--CA 1.489 2.231 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.2 tptm -76.15 -30.0 57.98 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.792 -0.828 . . . . 0.0 109.119 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -48.5 -67.39 0.27 Allowed 'General case' 0 N--CA 1.489 1.477 0 CA-C-O 121.776 0.798 . . . . 0.0 109.908 179.584 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.423 HD12 ' O ' ' A' ' 10' ' ' ILE . 1.0 OUTLIER -50.37 -22.46 1.85 Allowed 'General case' 0 C--N 1.292 -1.896 0 CA-C-O 121.77 0.795 . . . . 0.0 109.211 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -79.71 -50.01 11.24 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.734 0.778 . . . . 0.0 108.934 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 3.8 m -69.72 -16.99 63.43 Favored 'General case' 0 C--N 1.293 -1.852 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 178.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -77.12 -35.44 56.3 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 178.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -70.14 -14.36 62.61 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 108.426 -0.953 . . . . 0.0 108.426 178.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.02 -33.25 51.27 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.88 0.848 . . . . 0.0 109.032 179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -116.83 115.21 25.11 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.815 -0.553 . . . . 0.0 109.882 179.5 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.322 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.219 0.533 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.85 82.58 2.01 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.26 -0.9 . . . . 0.0 110.377 -179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.424 ' O ' ' HG ' ' A' ' 4' ' ' LEU . 2.3 pttp -133.55 46.13 2.6 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.284 -0.885 . . . . 0.0 109.999 179.63 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 3' ' ' LYS . 11.6 mt -141.94 37.31 1.6 Allowed 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.544 -0.723 . . . . 0.0 109.381 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -57.88 95.59 0.02 OUTLIER 'General case' 0 C--N 1.304 -1.37 0 O-C-N 121.577 -0.702 . . . . 0.0 110.726 -179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.44 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -134.4 7.7 3.62 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.436 -0.79 . . . . 0.0 109.635 179.568 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.44 ' HB3' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -176.95 -172.78 0.43 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.444 -0.785 . . . . 0.0 110.04 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -130.76 -3.65 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.221 -0.924 . . . . 0.0 110.512 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.93 42.68 2.79 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.168 -1.573 . . . . 0.0 109.168 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 18.6 mt -85.98 -4.19 9.1 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.802 0 O-C-N 121.711 -0.876 . . . . 0.0 110.677 -179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -82.76 -31.94 28.32 Favored Glycine 0 N--CA 1.492 2.409 0 N-CA-C 109.204 -1.559 . . . . 0.0 109.204 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -85.47 -12.14 52.57 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.577 -0.955 . . . . 0.0 109.571 179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 29.5 t80 -55.93 -69.18 0.15 Allowed 'General case' 0 N--CA 1.488 1.47 0 CA-C-O 121.764 0.792 . . . . 0.0 110.294 179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' HG3' ' A' ' 18' ' ' LYS . 0.3 OUTLIER -51.55 -20.42 1.93 Allowed 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.591 0.71 . . . . 0.0 109.872 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -86.16 -35.61 20.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.715 0.769 . . . . 0.0 110.552 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.9 t -61.59 -42.32 98.69 Favored 'General case' 0 C--N 1.294 -1.836 0 CA-C-O 121.489 0.661 . . . . 0.0 110.576 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.13 -33.51 70.17 Favored 'General case' 0 C--N 1.292 -1.916 0 CA-C-O 121.859 0.837 . . . . 0.0 108.783 179.013 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.446 ' HG3' ' O ' ' A' ' 14' ' ' LEU . 3.7 mtmm -72.75 -12.43 61.01 Favored 'General case' 0 C--N 1.294 -1.808 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -85.66 -18.82 32.12 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.44 -0.788 . . . . 0.0 110.185 179.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -109.45 109.36 20.18 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.477 -0.765 . . . . 0.0 110.347 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.343 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' A' ' 2' ' ' ALA . 5.3 mttp . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.317 0.58 . . . . 0.0 110.261 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.474 ' HB2' ' O ' ' A' ' 1' ' ' LYS . . . -179.35 81.83 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.262 -0.899 . . . . 0.0 110.259 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.777 ' C ' HD23 ' A' ' 4' ' ' LEU . 0.1 OUTLIER -146.0 165.13 29.92 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.24 -0.913 . . . . 0.0 110.204 179.914 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.777 HD23 ' C ' ' A' ' 3' ' ' LYS . 0.1 OUTLIER -131.76 0.15 3.91 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.177 -0.952 . . . . 0.0 110.121 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -81.06 65.84 6.35 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.24 -0.912 . . . . 0.0 110.46 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.18 17.15 2.79 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.342 -0.849 . . . . 0.0 109.897 179.585 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 38.7 tttt -142.67 71.23 1.34 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.214 -0.929 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.9 mt -134.17 -2.37 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.148 -0.97 . . . . 0.0 110.748 -179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -62.56 -8.24 19.1 Favored Glycine 0 N--CA 1.494 2.562 0 O-C-N 121.224 -0.923 . . . . 0.0 110.804 -179.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.401 HG22 ' O ' ' A' ' 10' ' ' ILE . 7.8 mt -89.84 -4.73 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 O-C-N 121.057 -1.261 . . . . 0.0 110.474 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -68.33 -23.35 74.96 Favored Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.018 -1.633 . . . . 0.0 109.018 179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.81 -36.6 19.96 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.692 -0.887 . . . . 0.0 109.864 179.553 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -60.81 -45.41 94.53 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-O 121.813 0.816 . . . . 0.0 109.618 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 83.9 mt -62.01 -31.99 72.43 Favored 'General case' 0 C--N 1.292 -1.894 0 CA-C-O 121.773 0.797 . . . . 0.0 109.571 179.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.533 ' CE1' ' HE3' ' A' ' 18' ' ' LYS . 0.4 OUTLIER -82.23 -37.7 25.6 Favored 'General case' 0 C--N 1.296 -1.726 0 CA-C-O 121.832 0.825 . . . . 0.0 109.554 179.681 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.34 -16.5 63.96 Favored 'General case' 0 C--N 1.296 -1.76 0 CA-C-O 121.648 0.737 . . . . 0.0 109.419 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 21' ' ' NH2 . . . -81.48 -36.29 29.48 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.892 0.853 . . . . 0.0 108.903 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.533 ' HE3' ' CE1' ' A' ' 15' ' ' HIS . 0.0 OUTLIER -71.18 -15.46 62.48 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 178.725 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.476 ' HG2' ' O ' ' A' ' 15' ' ' HIS . 10.1 mmmm -85.96 -21.9 27.65 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-O 121.755 0.788 . . . . 0.0 109.99 179.282 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 32.8 t80 -116.82 -38.32 3.46 Favored 'General case' 0 C--N 1.296 -1.745 0 O-C-N 121.853 -0.529 . . . . 0.0 110.224 -179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . 0.485 ' N ' ' O ' ' A' ' 17' ' ' ALA . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 119.915 -1.74 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 32.7 mmtm . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.208 0.528 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -77.96 52.96 1.11 Allowed 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.197 -0.94 . . . . 0.0 110.54 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -160.04 158.83 31.18 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.248 -0.908 . . . . 0.0 110.016 179.529 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' A' ' 6' ' ' LYS . 43.2 mt -138.21 45.63 2.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.271 -0.893 . . . . 0.0 110.045 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.441 ' O ' ' HG3' ' A' ' 6' ' ' LYS . 0.4 OUTLIER -62.6 72.3 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.437 -0.789 . . . . 0.0 110.305 -179.921 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.524 ' N ' ' O ' ' A' ' 4' ' ' LEU . 8.3 mttp -141.0 10.89 2.19 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 121.421 -0.799 . . . . 0.0 109.545 179.644 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 45.1 mttt -134.37 138.37 44.82 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.361 -0.837 . . . . 0.0 110.786 -179.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.6 mt -127.02 -105.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.375 0 O-C-N 121.307 -0.87 . . . . 0.0 109.58 179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.57 -9.5 52.77 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.013 -1.635 . . . . 0.0 109.013 179.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.586 ' O ' HD23 ' A' ' 14' ' ' LEU . 6.7 mm -90.0 -10.25 10.35 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.498 -1.001 . . . . 0.0 110.355 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.53 -46.13 86.48 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 108.943 -1.663 . . . . 0.0 108.943 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 2.4 tttt -85.17 -24.6 27.86 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.84 -0.8 . . . . 0.0 109.66 179.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 46.3 t80 -50.25 -65.81 0.5 Allowed 'General case' 0 N--CA 1.489 1.52 0 CA-C-O 121.859 0.838 . . . . 0.0 110.045 179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.586 HD23 ' O ' ' A' ' 10' ' ' ILE . 1.8 pp -49.33 -23.41 1.42 Allowed 'General case' 0 C--N 1.292 -1.9 0 CA-C-O 121.679 0.752 . . . . 0.0 109.299 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.468 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 17.7 t-80 -73.78 -48.52 31.0 Favored 'General case' 0 C--N 1.299 -1.609 0 CA-C-O 121.81 0.814 . . . . 0.0 109.233 179.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.45 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 1.3 p -63.2 -15.76 58.02 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.674 0.75 . . . . 0.0 109.007 178.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.26 -42.65 22.76 Favored 'General case' 0 C--N 1.301 -1.543 0 CA-C-O 121.94 0.876 . . . . 0.0 108.797 179.009 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.2 ttmt -71.42 -21.18 62.02 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.525 -0.917 . . . . 0.0 108.525 178.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.5 mmmm -86.45 -17.72 33.53 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.723 0.773 . . . . 0.0 109.575 178.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.45 ' HB2' ' O ' ' A' ' 16' ' ' SER . 4.9 t80 -105.63 69.36 0.83 Allowed 'General case' 0 C--N 1.299 -1.624 0 O-C-N 121.789 -0.569 . . . . 0.0 110.455 -179.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.867 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 22.4 ttpt . . . . . 0 N--CA 1.491 1.589 0 CA-C-O 121.295 0.569 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.411 ' C ' ' HG2' ' A' ' 3' ' ' LYS . . . -74.99 179.3 5.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.196 -0.94 . . . . 0.0 110.235 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.576 ' C ' HD23 ' A' ' 4' ' ' LEU . 1.8 mmmp? -141.27 117.02 10.36 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.197 -0.94 . . . . 0.0 110.153 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.782 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.4 OUTLIER -147.3 36.24 0.9 Allowed 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.309 -0.869 . . . . 0.0 110.228 -179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.44 ' CD1' HD12 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -101.89 75.99 1.59 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.241 -0.912 . . . . 0.0 110.15 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 13.7 mmtt -130.76 17.24 5.23 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.283 -0.885 . . . . 0.0 109.951 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.49 ' NZ ' ' CB ' ' A' ' 7' ' ' LYS . 1.6 ttmp? -172.23 51.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.203 -0.936 . . . . 0.0 110.081 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.44 HD12 ' CD1' ' A' ' 5' ' ' PHE . 4.5 mt -129.26 -3.8 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.637 0 O-C-N 121.48 -0.762 . . . . 0.0 110.357 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -84.92 15.1 45.09 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 110.13 -1.188 . . . . 0.0 110.13 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.541 HG23 ' HB3' ' A' ' 13' ' ' PHE . 5.0 mt -64.69 -7.11 3.57 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.293 -1.122 . . . . 0.0 110.734 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.401 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -46.03 -32.59 4.86 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 109.413 -1.475 . . . . 0.0 109.413 179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.432 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -78.47 -42.92 28.43 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.451 -1.029 . . . . 0.0 109.77 179.612 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB3' HG23 ' A' ' 10' ' ' ILE . 19.5 t80 -44.57 -50.2 9.75 Favored 'General case' 0 N--CA 1.487 1.391 0 CA-C-O 122.257 1.027 . . . . 0.0 109.335 179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.37 -28.43 1.34 Allowed 'General case' 0 C--N 1.289 -2.024 0 CA-C-O 121.755 0.788 . . . . 0.0 109.374 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.402 ' N ' ' O ' ' A' ' 12' ' ' LYS . 2.0 t-80 -85.54 -48.89 8.51 Favored 'General case' 0 C--N 1.297 -1.703 0 CA-C-O 121.685 0.755 . . . . 0.0 109.892 179.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -66.27 -21.4 66.28 Favored 'General case' 0 C--N 1.294 -1.82 0 CA-C-O 121.635 0.731 . . . . 0.0 109.437 179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.45 -30.32 47.43 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 18' ' ' LYS . 17.0 tttp -73.22 -12.11 60.75 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 108.577 -0.898 . . . . 0.0 108.577 178.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.482 ' O ' ' HD2' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -85.51 -39.43 17.46 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.905 0.86 . . . . 0.0 109.741 179.341 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -80.31 68.87 6.62 Favored 'General case' 0 C--N 1.295 -1.802 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.158 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.295 0 O-C-N 119.845 -1.784 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.312 0.577 . . . . 0.0 110.117 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.93 80.36 1.66 Allowed 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.346 -0.846 . . . . 0.0 109.779 179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 11.9 mttp -152.42 -165.55 2.24 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.221 -0.925 . . . . 0.0 110.6 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.5 mp -131.43 18.91 4.81 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.595 -0.691 . . . . 0.0 110.323 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -92.41 102.52 14.99 Favored 'General case' 0 N--CA 1.487 1.411 0 O-C-N 121.116 -0.99 . . . . 0.0 110.356 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.3 15.68 2.22 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.448 -0.782 . . . . 0.0 109.756 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.09 131.95 25.92 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.377 -0.827 . . . . 0.0 110.847 -179.582 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.8 mt -128.94 -4.45 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 O-C-N 121.362 -0.836 . . . . 0.0 110.447 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -76.3 -5.31 81.37 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 110.013 -1.235 . . . . 0.0 110.013 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.562 HG22 HD12 ' A' ' 14' ' ' LEU . 4.4 mt -120.52 -14.73 7.85 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 O-C-N 121.176 -1.191 . . . . 0.0 110.459 179.821 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -50.71 64.68 Favored Glycine 0 N--CA 1.491 2.358 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.75 -23.78 27.15 Favored 'General case' 0 C--N 1.292 -1.916 0 O-C-N 121.765 -0.844 . . . . 0.0 110.374 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -66.85 -52.64 41.12 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.252 -0.905 . . . . 0.0 109.829 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.562 HD12 HG22 ' A' ' 10' ' ' ILE . 21.8 mt -63.35 -21.67 66.41 Favored 'General case' 0 C--N 1.292 -1.931 0 CA-C-O 121.787 0.803 . . . . 0.0 109.295 179.373 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -84.48 -42.03 15.98 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.729 0.776 . . . . 0.0 109.561 179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -68.55 -12.25 61.02 Favored 'General case' 0 C--N 1.295 -1.779 0 C-N-CA 119.762 -0.775 . . . . 0.0 109.11 178.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -82.65 -38.18 23.85 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.811 0.815 . . . . 0.0 109.03 179.079 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -17.89 63.18 Favored 'General case' 0 C--N 1.296 -1.746 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 178.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.88 -18.16 31.55 Favored 'General case' 0 N--CA 1.492 1.627 0 CA-C-O 121.588 0.708 . . . . 0.0 110.329 179.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -115.57 -8.28 12.14 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.431 -0.793 . . . . 0.0 110.081 -179.649 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.317 0 O-C-N 119.888 -1.758 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 121.264 0.554 . . . . 0.0 110.051 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.21 174.11 11.63 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.306 -0.871 . . . . 0.0 110.072 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.415 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -169.86 94.38 0.26 Allowed 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.179 -0.951 . . . . 0.0 111.041 -179.836 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.415 ' HG ' ' C ' ' A' ' 3' ' ' LYS . 90.2 mt -142.66 48.7 1.52 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.187 -0.945 . . . . 0.0 109.325 179.11 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -56.38 103.12 0.09 Allowed 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.457 -0.777 . . . . 0.0 111.393 -179.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.6 ttpt -140.76 17.4 2.33 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.532 -0.73 . . . . 0.0 109.091 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.98 119.31 19.94 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.614 -0.679 . . . . 0.0 110.186 -179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.7 mt -127.19 -79.88 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.607 0 O-C-N 121.168 -0.958 . . . . 0.0 110.509 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.42 -7.34 3.67 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.2 mm -62.26 -11.31 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -1.161 . . . . 0.0 110.258 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.22 -24.87 69.28 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 108.716 -1.753 . . . . 0.0 108.716 179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -85.49 -34.63 21.54 Favored 'General case' 0 C--N 1.298 -1.674 0 O-C-N 121.761 -0.846 . . . . 0.0 109.881 179.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 20.3 t80 -49.92 -58.9 4.49 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.947 0.879 . . . . 0.0 109.865 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.5 mt -52.5 -21.27 3.58 Favored 'General case' 0 C--N 1.292 -1.929 0 CA-C-O 121.658 0.742 . . . . 0.0 109.595 179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -81.5 -38.21 26.65 Favored 'General case' 0 C--N 1.299 -1.623 0 CA-C-O 121.862 0.839 . . . . 0.0 109.329 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -26.26 62.37 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.84 0.829 . . . . 0.0 108.838 178.896 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.51 -38.07 62.92 Favored 'General case' 0 C--N 1.297 -1.691 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 178.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.9 -16.71 64.1 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.412 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 10.3 mttt -86.2 -46.03 10.77 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 121.663 0.744 . . . . 0.0 110.296 179.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.3 t80 -116.83 -66.0 1.13 Allowed 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.678 -0.639 . . . . 0.0 110.272 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.314 0 O-C-N 119.76 -1.838 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.66 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 2.0 ttmm . . . . . 0 N--CA 1.494 1.743 0 CA-C-O 121.328 0.585 . . . . 0.0 110.069 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.66 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 65.93 63.17 0.59 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.275 -0.89 . . . . 0.0 110.255 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.448 ' HB3' ' O ' ' A' ' 2' ' ' ALA . 0.0 OUTLIER -177.94 174.07 1.46 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.2 -0.938 . . . . 0.0 110.448 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.497 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.2 OUTLIER -147.5 44.13 1.11 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.271 -0.893 . . . . 0.0 110.126 -179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -98.16 51.84 1.03 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.289 -0.882 . . . . 0.0 110.239 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.439 ' NZ ' ' HA ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -128.81 10.73 6.04 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.334 -0.854 . . . . 0.0 109.315 179.35 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.691 ' HD2' HD11 ' A' ' 10' ' ' ILE . 13.2 pttt -167.58 140.65 3.37 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.464 -0.772 . . . . 0.0 109.777 179.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.3 mt -127.54 -4.2 4.18 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.286 -0.884 . . . . 0.0 110.461 -179.44 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.33 -12.0 29.85 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.992 -1.243 . . . . 0.0 109.992 -179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.691 HD11 ' HD2' ' A' ' 7' ' ' LYS . 42.9 mt -65.18 -42.99 95.56 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.703 0 O-C-N 121.212 -1.169 . . . . 0.0 110.247 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.34 -19.24 32.18 Favored Glycine 0 N--CA 1.49 2.249 0 N-CA-C 109.3 -1.52 . . . . 0.0 109.3 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.4 tptp -86.08 -43.86 12.74 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.539 -0.977 . . . . 0.0 109.846 179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -55.23 -54.39 44.02 Favored 'General case' 0 N--CA 1.485 1.309 0 O-C-N 121.252 -0.905 . . . . 0.0 109.15 179.365 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.51 ' O ' ' HB3' ' A' ' 17' ' ' ALA . 1.2 mp -55.26 -26.68 41.53 Favored 'General case' 0 C--N 1.294 -1.809 0 CA-C-O 121.875 0.845 . . . . 0.0 109.043 179.008 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -71.46 -39.13 71.13 Favored 'General case' 0 C--N 1.298 -1.634 0 CA-C-O 121.999 0.904 . . . . 0.0 108.851 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.431 ' O ' ' HB2' ' A' ' 20' ' ' PHE . 0.2 OUTLIER -63.0 -14.28 45.81 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 178.785 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.51 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -77.88 -49.4 14.3 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.707 0.765 . . . . 0.0 109.037 179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.03 -19.65 64.92 Favored 'General case' 0 C--N 1.295 -1.79 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -86.13 -18.6 31.87 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.702 0.763 . . . . 0.0 109.707 179.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.431 ' HB2' ' O ' ' A' ' 16' ' ' SER . 14.1 t80 -98.07 -52.78 3.58 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.62 -0.675 . . . . 0.0 110.351 -179.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.359 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.419 ' O ' ' C ' ' A' ' 2' ' ' ALA . 1.3 ttmt . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 121.262 0.553 . . . . 0.0 110.142 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' A' ' 1' ' ' LYS . . . 43.82 79.09 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.222 -0.924 . . . . 0.0 109.854 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.446 ' C ' ' HG ' ' A' ' 4' ' ' LEU . 12.3 tttm -174.2 156.52 2.64 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.275 -0.891 . . . . 0.0 110.4 -179.675 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.491 ' O ' ' N ' ' A' ' 6' ' ' LYS . 2.5 mt -130.63 31.07 4.59 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.349 -0.845 . . . . 0.0 109.541 179.719 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -64.5 68.29 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.401 -0.812 . . . . 0.0 110.798 -179.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.491 ' N ' ' O ' ' A' ' 4' ' ' LEU . 14.8 tttm -130.18 17.69 5.51 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.313 -0.867 . . . . 0.0 109.179 179.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.08 127.1 31.48 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.563 -0.711 . . . . 0.0 109.661 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.577 ' H ' HD12 ' A' ' 10' ' ' ILE . 4.3 mt -126.74 -60.66 1.42 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 O-C-N 121.167 -0.958 . . . . 0.0 110.071 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -136.43 5.01 3.79 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.684 -1.366 . . . . 0.0 109.684 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.577 HD12 ' H ' ' A' ' 8' ' ' ILE . 1.1 mp -69.84 -13.06 16.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.118 -1.225 . . . . 0.0 110.123 -179.807 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -64.99 -51.2 53.4 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.079 -1.608 . . . . 0.0 109.079 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -76.13 -2.4 30.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.882 -0.775 . . . . 0.0 109.741 179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.542 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.7 t80 -61.93 -53.44 55.64 Favored 'General case' 0 N--CA 1.485 1.31 0 O-C-N 121.233 -0.917 . . . . 0.0 109.79 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 1.1 mt -54.46 -21.12 9.0 Favored 'General case' 0 C--N 1.293 -1.853 0 CA-C-O 121.799 0.809 . . . . 0.0 109.159 179.381 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -79.02 -51.28 9.81 Favored 'General case' 0 C--N 1.299 -1.601 0 CA-C-O 121.856 0.836 . . . . 0.0 109.03 178.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.415 ' HA ' ' HB2' ' A' ' 19' ' ' LYS . 41.0 m -62.0 -13.86 29.84 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 178.464 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.49 -42.91 28.34 Favored 'General case' 0 N--CA 1.487 1.414 0 CA-C-O 121.72 0.771 . . . . 0.0 109.06 179.125 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -74.1 -13.8 60.88 Favored 'General case' 0 C--N 1.295 -1.769 0 N-CA-C 108.346 -0.983 . . . . 0.0 108.346 178.092 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 16' ' ' SER . 0.0 OUTLIER -85.49 -22.72 28.09 Favored 'General case' 0 N--CA 1.488 1.464 0 CA-C-O 121.725 0.774 . . . . 0.0 109.58 179.125 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -116.58 55.91 0.81 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.585 -0.697 . . . . 0.0 110.246 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 119.873 -1.767 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.296 0.57 . . . . 0.0 110.239 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 50.2 81.91 0.06 Allowed 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.472 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 7.6 ptpt -152.07 89.84 1.48 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.224 -0.923 . . . . 0.0 110.006 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 4' ' ' LEU . 35.8 mt -133.15 6.62 3.9 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.298 -0.876 . . . . 0.0 110.391 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -98.14 47.0 1.0 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.158 -0.964 . . . . 0.0 110.336 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -137.03 20.46 3.01 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.512 -0.743 . . . . 0.0 109.149 179.151 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.1 ptmt -148.05 136.93 21.89 Favored 'General case' 0 N--CA 1.492 1.638 0 C-N-CA 119.582 -0.847 . . . . 0.0 111.037 -179.391 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.619 HG22 HG13 ' A' ' 10' ' ' ILE . 1.9 mt -136.22 -102.13 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.505 0 O-C-N 121.489 -0.757 . . . . 0.0 109.997 179.565 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.96 1.0 4.18 Favored Glycine 0 N--CA 1.491 2.347 0 N-CA-C 109.867 -1.293 . . . . 0.0 109.867 179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.619 HG13 HG22 ' A' ' 8' ' ' ILE . 16.2 mt -89.66 -5.99 10.74 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.182 -1.187 . . . . 0.0 110.256 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.519 ' O ' ' CD2' ' A' ' 14' ' ' LEU . . . -59.82 -71.46 0.77 Allowed Glycine 0 N--CA 1.491 2.319 0 N-CA-C 109.603 -1.399 . . . . 0.0 109.603 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 ttpp -62.36 -10.1 10.22 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 121.713 -0.875 . . . . 0.0 110.531 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.522 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 0.8 OUTLIER -58.59 -62.71 1.66 Allowed 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.082 -1.011 . . . . 0.0 110.027 179.78 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.519 ' CD2' ' O ' ' A' ' 11' ' ' GLY . 0.7 OUTLIER -52.99 -20.67 3.61 Favored 'General case' 0 C--N 1.294 -1.848 0 C-N-CA 119.828 -0.749 . . . . 0.0 109.301 179.568 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.6 t-160 -71.09 -36.88 72.39 Favored 'General case' 0 C--N 1.3 -1.584 0 CA-C-O 122.072 0.939 . . . . 0.0 108.829 178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 22.1 t -61.97 -26.53 68.26 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-O 121.648 0.737 . . . . 0.0 109.271 179.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.77 -37.88 76.54 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-O 121.799 0.809 . . . . 0.0 108.878 178.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -68.04 -12.12 60.22 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.582 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -84.71 -23.1 29.49 Favored 'General case' 0 N--CA 1.49 1.537 0 CA-C-O 121.718 0.77 . . . . 0.0 109.749 179.406 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -116.68 -62.16 1.62 Allowed 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.737 -0.602 . . . . 0.0 110.364 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.362 0 O-C-N 119.891 -1.755 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.241 0.544 . . . . 0.0 110.116 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -127.11 65.98 1.29 Allowed 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.233 -0.917 . . . . 0.0 110.223 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.468 ' N ' HD23 ' A' ' 4' ' ' LEU . 1.1 tptm -148.61 84.27 1.48 Allowed 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 110.198 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.492 ' N ' HD23 ' A' ' 4' ' ' LEU . 0.6 OUTLIER -161.64 31.69 0.13 Allowed 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.247 -0.908 . . . . 0.0 110.198 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -99.51 57.15 1.02 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.275 -0.891 . . . . 0.0 110.31 -179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 7' ' ' LYS . 0.2 OUTLIER -130.08 10.59 5.43 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.352 -0.842 . . . . 0.0 109.767 179.684 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 6' ' ' LYS . 0.0 OUTLIER 177.79 148.19 0.16 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.349 -0.844 . . . . 0.0 110.259 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.23 -108.4 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.305 -1.336 0 O-C-N 121.209 -0.932 . . . . 0.0 109.677 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.94 -51.92 4.4 Favored Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.593 -1.403 . . . . 0.0 109.593 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 5.3 mm -104.36 -6.85 9.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.897 0 O-C-N 121.786 -0.832 . . . . 0.0 110.31 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -63.98 -25.08 69.09 Favored Glycine 0 N--CA 1.491 2.305 0 N-CA-C 109.162 -1.575 . . . . 0.0 109.162 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.451 ' O ' ' HD2' ' A' ' 12' ' ' LYS . 11.1 tptm -85.47 -34.59 21.59 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.688 -0.889 . . . . 0.0 109.797 179.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -50.89 -65.55 0.54 Allowed 'General case' 0 N--CA 1.487 1.416 0 O-C-N 121.305 -0.872 . . . . 0.0 109.889 179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.407 ' HG ' ' N ' ' A' ' 15' ' ' HIS . 1.8 pp -55.5 -18.99 8.32 Favored 'General case' 0 C--N 1.293 -1.864 0 CA-C-O 121.759 0.79 . . . . 0.0 109.279 179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.441 ' HB3' ' HD2' ' A' ' 12' ' ' LYS . 7.8 t-80 -79.8 -41.1 27.18 Favored 'General case' 0 C--N 1.3 -1.547 0 CA-C-O 121.762 0.792 . . . . 0.0 109.7 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -63.37 -18.39 63.62 Favored 'General case' 0 C--N 1.294 -1.826 0 CA-C-O 121.561 0.696 . . . . 0.0 109.713 179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -80.3 -40.02 27.63 Favored 'General case' 0 C--N 1.298 -1.663 0 CA-C-O 121.895 0.855 . . . . 0.0 108.929 178.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt -69.55 -15.0 63.14 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.73 -17.33 36.21 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.628 -0.67 . . . . 0.0 109.981 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -107.62 3.17 24.51 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.457 -0.777 . . . . 0.0 110.109 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.354 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.236 0.541 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.56 125.03 42.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.324 -0.86 . . . . 0.0 109.931 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -147.79 172.06 14.71 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.252 -0.905 . . . . 0.0 110.41 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.6 mt -131.56 30.47 4.41 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.399 -0.813 . . . . 0.0 109.947 179.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -73.95 55.83 0.57 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.128 -0.982 . . . . 0.0 110.438 -179.776 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.451 ' HE3' ' HB3' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -131.44 10.18 4.79 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.474 -0.766 . . . . 0.0 109.169 179.144 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.52 ' HB3' HG13 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -170.96 173.23 5.2 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.507 -0.746 . . . . 0.0 109.586 -179.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.12 -5.32 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.995 -1.066 . . . . 0.0 110.819 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.456 ' O ' ' HB2' ' A' ' 13' ' ' PHE . . . -107.26 9.14 38.8 Favored Glycine 0 N--CA 1.491 2.356 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.541 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 7.3 mt -60.83 -13.8 7.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.163 -1.198 . . . . 0.0 110.211 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.67 -67.75 1.95 Allowed Glycine 0 N--CA 1.49 2.264 0 N-CA-C 109.423 -1.471 . . . . 0.0 109.423 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -81.97 6.97 14.33 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 121.647 -0.913 . . . . 0.0 110.234 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.541 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -75.03 -41.75 58.61 Favored 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.169 -0.957 . . . . 0.0 109.456 179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.493 HD12 ' C ' ' A' ' 14' ' ' LEU . 4.1 pp -63.08 -21.11 65.95 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-O 121.774 0.797 . . . . 0.0 109.295 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.467 ' N ' HD12 ' A' ' 14' ' ' LEU . 4.0 t-80 -85.16 -47.92 9.65 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 121.856 0.836 . . . . 0.0 109.359 179.261 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.55 -18.51 64.36 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-O 121.72 0.771 . . . . 0.0 108.936 179.075 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.44 -35.24 47.11 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 178.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -73.27 -11.33 60.46 Favored 'General case' 0 C--N 1.296 -1.749 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -85.5 -28.42 24.99 Favored 'General case' 0 N--CA 1.492 1.653 0 CA-C-O 121.729 0.776 . . . . 0.0 109.871 179.454 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -112.09 41.51 1.95 Allowed 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.738 -0.601 . . . . 0.0 110.48 -179.529 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.82 -1.8 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . 0.422 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.226 0.536 . . . . 0.0 110.101 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.422 ' HB3' ' O ' ' A' ' 1' ' ' LYS . . . 54.69 75.32 0.3 Allowed 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.221 -0.924 . . . . 0.0 110.134 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 4' ' ' LEU . 2.4 ttmp? -166.89 72.81 0.13 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.271 -0.893 . . . . 0.0 110.005 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 4' ' ' LEU . 1.2 pp -178.49 52.15 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.276 -0.89 . . . . 0.0 110.166 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 12.7 p90 -73.88 54.13 0.49 Allowed 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.088 -1.007 . . . . 0.0 110.3 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.443 ' O ' ' HB3' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -133.69 11.46 4.03 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.419 -0.801 . . . . 0.0 109.672 179.659 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 7' ' ' LYS . 10.2 pttt -178.11 148.76 0.52 Allowed 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.24 -0.913 . . . . 0.0 111.005 -179.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 2.4 mt -127.9 -105.39 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 O-C-N 121.469 -0.769 . . . . 0.0 109.527 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 78.68 2.8 86.27 Favored Glycine 0 N--CA 1.492 2.381 0 O-C-N 120.853 -1.154 . . . . 0.0 110.311 179.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.492 ' O ' ' HB3' ' A' ' 13' ' ' PHE . 49.0 mt -62.31 -11.29 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.051 -1.264 . . . . 0.0 110.405 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' ILE . . . -45.11 -76.82 0.11 Allowed Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.713 -1.355 . . . . 0.0 109.713 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.441 ' O ' ' HB3' ' A' ' 15' ' ' HIS . 3.2 mtmm -47.06 -27.28 1.29 Allowed 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.843 -0.798 . . . . 0.0 110.896 -179.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.492 ' HB3' ' O ' ' A' ' 10' ' ' ILE . 6.8 t80 -52.77 -60.98 2.59 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.034 -1.042 . . . . 0.0 109.989 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -19.88 4.15 Favored 'General case' 0 C--N 1.291 -1.939 0 CA-C-O 121.709 0.766 . . . . 0.0 109.361 179.285 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.441 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 8.3 t-80 -79.3 -47.01 16.61 Favored 'General case' 0 C--N 1.299 -1.592 0 CA-C-O 121.787 0.803 . . . . 0.0 110.065 179.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.67 -18.2 58.61 Favored 'General case' 0 C--N 1.293 -1.855 0 CA-C-O 121.586 0.708 . . . . 0.0 109.674 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.458 ' O ' ' O ' ' A' ' 20' ' ' PHE . . . -79.39 -38.42 34.92 Favored 'General case' 0 C--N 1.296 -1.729 0 CA-C-O 121.974 0.892 . . . . 0.0 108.686 178.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -66.91 -18.51 65.42 Favored 'General case' 0 C--N 1.294 -1.841 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.1 -46.48 10.41 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.757 0.789 . . . . 0.0 110.15 179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.458 ' O ' ' O ' ' A' ' 17' ' ' ALA . 3.9 t80 -111.77 -169.49 1.47 Allowed 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.713 -0.617 . . . . 0.0 110.097 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.811 -1.806 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.2 pttt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.176 0.513 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -123.49 163.96 19.88 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.242 -0.911 . . . . 0.0 110.309 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -135.24 132.85 38.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.292 -0.88 . . . . 0.0 110.224 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.809 HD23 ' H ' ' A' ' 4' ' ' LEU . 2.2 pt? -134.34 23.7 3.77 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.189 -0.945 . . . . 0.0 110.309 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -88.53 56.54 3.83 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.164 -0.96 . . . . 0.0 110.102 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 5.8 ttpm? -129.52 17.72 5.86 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.337 -0.852 . . . . 0.0 109.237 179.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -139.09 178.06 7.44 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.659 -0.65 . . . . 0.0 109.435 179.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.413 HG22 ' H ' ' A' ' 10' ' ' ILE . 3.6 mt -126.99 -78.83 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.013 -1.054 . . . . 0.0 110.76 -179.779 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 102.82 -8.73 54.69 Favored Glycine 0 N--CA 1.49 2.296 0 N-CA-C 109.746 -1.342 . . . . 0.0 109.746 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.448 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 8.9 mt -88.05 -15.24 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.197 -1.179 . . . . 0.0 110.239 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.75 -70.16 1.08 Allowed Glycine 0 N--CA 1.489 2.215 0 N-CA-C 108.954 -1.658 . . . . 0.0 108.954 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.0 tmtt? -56.16 -20.17 16.62 Favored 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.766 -0.844 . . . . 0.0 109.573 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.448 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 2.3 t80 -63.99 -48.04 77.95 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-O 121.989 0.9 . . . . 0.0 109.36 179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -55.53 -35.19 65.38 Favored 'General case' 0 C--N 1.293 -1.867 0 CA-C-O 121.77 0.795 . . . . 0.0 109.769 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -80.55 -42.07 23.01 Favored 'General case' 0 C--N 1.296 -1.748 0 CA-C-O 121.801 0.81 . . . . 0.0 109.751 179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 57.9 m -65.08 -17.31 64.35 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-O 121.684 0.754 . . . . 0.0 109.394 179.403 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -78.65 -42.85 27.6 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.73 0.776 . . . . 0.0 109.191 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.32 -16.35 62.44 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 178.592 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -85.9 -35.75 20.34 Favored 'General case' 0 N--CA 1.489 1.483 0 CA-C-O 121.634 0.73 . . . . 0.0 110.26 179.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -109.21 -70.43 0.81 Allowed 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.709 -0.619 . . . . 0.0 110.383 -179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.848 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.216 0.531 . . . . 0.0 110.162 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.5 91.39 3.34 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.246 -0.909 . . . . 0.0 110.048 179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.9 mtpt -150.74 133.41 15.75 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.15 -0.969 . . . . 0.0 110.567 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 1.3 mt -130.66 5.12 4.65 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.397 -0.814 . . . . 0.0 109.604 179.487 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.739 ' CD2' HD11 ' A' ' 8' ' ' ILE . 2.7 m-30 -98.79 102.38 14.09 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.361 -0.837 . . . . 0.0 109.952 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 2.5 mttt -130.0 14.02 5.75 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.392 -0.817 . . . . 0.0 109.824 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -169.35 91.3 0.23 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.343 -0.848 . . . . 0.0 110.035 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.739 HD11 ' CD2' ' A' ' 5' ' ' PHE . 3.8 mt -127.5 -5.82 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.314 -0.866 . . . . 0.0 110.393 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.96 103.84 2.91 Favored Glycine 0 N--CA 1.49 2.239 0 N-CA-C 109.244 -1.542 . . . . 0.0 109.244 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.597 ' HA ' ' HB2' ' A' ' 13' ' ' PHE . 30.1 mt -83.3 -1.71 6.11 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.535 -0.979 . . . . 0.0 110.499 -179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.788 ' O ' HD12 ' A' ' 14' ' ' LEU . . . -50.19 -84.32 0.02 OUTLIER Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.849 -1.3 . . . . 0.0 109.849 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -58.09 -14.42 6.71 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.736 -0.861 . . . . 0.0 110.576 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.597 ' HB2' ' HA ' ' A' ' 10' ' ' ILE . 1.9 t80 -56.63 -38.76 72.54 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.048 -1.032 . . . . 0.0 109.104 179.302 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.788 HD12 ' O ' ' A' ' 11' ' ' GLY . 1.1 mt -54.03 -25.81 23.24 Favored 'General case' 0 C--N 1.295 -1.796 0 CA-C-O 121.825 0.821 . . . . 0.0 109.232 179.176 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 19.0 t-80 -69.78 -46.35 65.97 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.987 0.899 . . . . 0.0 109.459 179.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.1 -14.14 33.64 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 109.374 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 14' ' ' LEU . . . -80.47 -38.78 29.3 Favored 'General case' 0 C--N 1.301 -1.539 0 CA-C-O 121.873 0.844 . . . . 0.0 109.156 179.051 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.9 mmtm -69.92 -17.87 63.35 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-O 121.714 0.768 . . . . 0.0 108.99 179.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.13 -18.21 32.92 Favored 'General case' 0 N--CA 1.49 1.549 0 CA-C-O 121.6 0.714 . . . . 0.0 109.904 179.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 t80 -116.44 81.39 1.61 Allowed 'General case' 0 C--N 1.298 -1.634 0 O-C-N 121.552 -0.718 . . . . 0.0 110.261 -179.401 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.312 0 O-C-N 119.898 -1.751 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_