data_1t51_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 1t51 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -51.13 37.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -1.16 . . . . 0.0 109.618 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.8 mm -67.35 -22.75 29.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.491 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -75.35 -30.05 60.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -38.94 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.4 -34.23 36.84 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 5' ' ' ILE . 17.0 mt -61.48 -55.19 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -1.104 . . . . 0.0 110.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.18 -22.38 51.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.487 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 35.6 t . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -64.7 -44.28 90.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.336 -1.096 . . . . 0.0 109.573 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.418 HG23 HD13 ' A' ' 5' ' ' ILE . 8.9 mm -69.17 -27.74 36.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.559 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -73.04 -24.6 60.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.815 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -64.77 -28.37 69.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.136 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.15 -30.64 27.78 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.449 HD12 HG22 ' A' ' 9' ' ' ILE . 50.5 mt -68.14 -73.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -1.118 . . . . 0.0 110.128 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -51.48 -20.59 1.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.9 . . . . 0.0 110.18 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 9.9 t . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 110.207 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -63.49 -44.7 93.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -1.108 . . . . 0.0 109.771 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 9' ' ' ILE . 7.0 mm -67.19 -28.62 43.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.53 -0.731 . . . . 0.0 109.894 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.457 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 t-105 -75.61 -27.86 58.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.102 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.31 -33.96 66.07 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.32 -0.862 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.48 -29.33 30.33 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.5 mt -71.51 -42.3 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -1.147 . . . . 0.0 110.174 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 6' ' ' TRP . 6.2 ptmt -70.07 -24.88 63.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 0.0 110.196 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.182 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -38.67 77.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -1.08 . . . . 0.0 109.974 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.8 mm -73.27 -30.07 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.905 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.433 ' CE2' ' HD2' ' A' ' 10' ' ' LYS . 22.3 t-105 -80.59 -33.54 35.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 0.0 110.142 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER -59.99 -27.62 67.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 110.02 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.5 -34.2 20.34 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 5' ' ' ILE . 9.3 mt -62.75 -68.99 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.258 -1.142 . . . . 0.0 110.155 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 18.4 ptmt -55.06 -25.99 34.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 110.152 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 3.6 t . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.184 -0.947 . . . . 0.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -71.21 -44.25 65.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.265 -1.139 . . . . 0.0 109.646 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.6 mm -71.95 -28.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.523 -0.736 . . . . 0.0 109.668 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -76.64 -26.52 54.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.377 -0.827 . . . . 0.0 110.017 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.26 -32.34 73.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.995 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.87 -30.39 43.44 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.0 mt -67.66 -53.32 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.259 -1.142 . . . . 0.0 110.064 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -25.56 62.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.163 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.347 -0.846 . . . . 0.0 110.225 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.69 -31.84 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.334 -1.098 . . . . 0.0 109.431 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . 12.7 mm -78.28 -25.03 13.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.464 -0.773 . . . . 0.0 109.659 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -78.08 -26.32 48.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -30.04 71.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.339 -0.85 . . . . 0.0 110.139 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 -31.44 26.65 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 HG23 HD13 ' A' ' 9' ' ' ILE . 40.7 mt -63.94 -65.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -1.165 . . . . 0.0 110.086 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -22.09 25.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 110.121 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.932 . . . . 0.0 110.283 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -69.03 -52.25 30.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -1.176 . . . . 0.0 109.495 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.452 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.0 mm -67.2 -28.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 O-C-N 121.501 -0.75 . . . . 0.0 109.467 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -74.84 -25.27 58.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 109.894 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -42.22 72.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.0 -29.07 55.22 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.8 mt -68.7 -50.03 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -1.113 . . . . 0.0 110.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -64.81 -23.72 67.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.245 -0.909 . . . . 0.0 110.211 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 36.1 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 0.0 110.132 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.34 -36.02 82.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.363 -1.08 . . . . 0.0 109.562 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' ILE . 9.7 mm -74.29 -29.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.541 -0.724 . . . . 0.0 109.727 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -75.06 -27.89 60.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.819 . . . . 0.0 109.977 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -27.11 68.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.66 -33.63 27.19 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.46 HG21 HD13 ' A' ' 9' ' ' ILE . 31.5 mt -67.6 -56.93 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.24 -1.153 . . . . 0.0 110.162 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -24.99 42.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.251 -0.906 . . . . 0.0 110.199 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 110.281 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -37.0 61.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.294 -1.121 . . . . 0.0 109.612 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.442 ' O ' HG13 ' A' ' 9' ' ' ILE . 34.3 mm -75.68 -28.29 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.511 -0.743 . . . . 0.0 109.725 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.534 ' CZ3' HG23 ' A' ' 9' ' ' ILE . 36.7 t-105 -79.22 -21.52 46.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.383 -0.823 . . . . 0.0 110.08 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 11' ' ' SER . 1.3 mt-10 -67.56 -30.68 70.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 110.184 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.79 -33.49 18.51 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.534 HG23 ' CZ3' ' A' ' 6' ' ' TRP . 13.5 mt -57.36 -68.02 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -1.131 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -57.74 -21.84 43.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 110.204 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.2 t . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 0.0 110.276 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -71.16 -42.07 69.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -1.156 . . . . 0.0 109.573 179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mm -72.84 -25.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.508 -0.745 . . . . 0.0 109.455 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.555 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 36.6 t-105 -76.09 -26.3 56.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.825 . . . . 0.0 109.936 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.64 -34.7 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.935 . . . . 0.0 110.022 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.64 37.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.82 -63.35 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.219 -1.165 . . . . 0.0 110.192 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.555 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -54.44 -23.75 17.27 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 0.0 110.096 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.293 -0.879 . . . . 0.0 110.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -70.9 -51.53 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -1.152 . . . . 0.0 109.639 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 9' ' ' ILE . 17.8 mm -66.7 -26.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.496 -0.753 . . . . 0.0 109.655 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.566 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.0 t-105 -74.93 -27.17 60.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 109.996 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.436 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.7 tp10 -54.0 -40.37 66.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.915 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.02 -25.9 56.76 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.457 HG22 ' CZ3' ' A' ' 6' ' ' TRP . 20.1 mt -74.21 -52.34 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.298 -1.119 . . . . 0.0 110.127 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 6.5 pttp -61.6 -17.33 54.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.159 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 110.216 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.74 76.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.401 -1.058 . . . . 0.0 109.548 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -77.28 -28.76 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 109.818 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.403 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 41.9 t-105 -80.17 -26.64 39.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.48 -30.62 71.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 -30.8 26.91 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -62.81 -60.1 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.241 -1.152 . . . . 0.0 110.124 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 11' ' ' SER . 2.8 ptpt -59.99 -25.4 65.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.904 . . . . 0.0 110.05 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.5 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 32.1 t . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.085 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -63.57 -32.76 74.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -1.135 . . . . 0.0 109.502 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -74.13 -36.09 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.458 -0.776 . . . . 0.0 109.838 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -77.07 -28.58 54.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.73 -27.86 69.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.283 -0.885 . . . . 0.0 109.889 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.37 -31.93 32.62 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.4 mt -69.58 -53.19 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.77 -26.33 63.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.292 -0.88 . . . . 0.0 110.059 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.441 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.14 77.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.367 -1.078 . . . . 0.0 109.386 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mm -77.33 -30.49 17.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.577 -0.702 . . . . 0.0 109.688 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -78.51 -26.91 46.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.359 -0.838 . . . . 0.0 109.85 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.58 -30.79 71.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 0.0 109.892 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.42 -28.98 41.75 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.9 mt -67.63 -59.74 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.379 -1.071 . . . . 0.0 109.939 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.06 -24.23 66.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 110.091 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 179.876 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -72.67 -50.08 27.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.285 -1.127 . . . . 0.0 109.67 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.505 HD12 HG22 ' A' ' 5' ' ' ILE . 20.1 mm -68.6 -24.67 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.461 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.4 t-105 -77.54 -26.74 51.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -41.24 64.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.254 -0.904 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.39 -28.78 42.67 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.458 HG23 ' CE3' ' A' ' 6' ' ' TRP . 9.8 mt -65.47 -54.31 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -1.096 . . . . 0.0 110.123 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -62.04 -24.66 67.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.219 -0.926 . . . . 0.0 110.172 179.913 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -71.31 -50.8 28.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.363 -1.08 . . . . 0.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 9' ' ' ILE . 29.6 mm -63.31 -27.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.671 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.453 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 29.4 t-105 -69.96 -32.62 70.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.356 -0.84 . . . . 0.0 110.011 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.96 -30.43 67.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.26 -28.92 52.04 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.1 mt -77.82 -51.0 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -1.137 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -56.74 -24.38 49.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.231 -0.918 . . . . 0.0 110.168 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 26.3 t . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.257 -0.902 . . . . 0.0 110.233 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -41.3 78.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.32 -1.106 . . . . 0.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.57 -28.54 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 109.741 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.534 ' CZ3' HG22 ' A' ' 9' ' ' ILE . 33.0 t-105 -74.27 -25.14 59.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.381 -0.824 . . . . 0.0 109.852 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.93 -31.7 71.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 109.882 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.87 -29.24 35.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.534 HG22 ' CZ3' ' A' ' 6' ' ' TRP . 49.2 mt -70.85 -63.12 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -1.15 . . . . 0.0 110.101 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -53.39 -26.36 19.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.232 -0.917 . . . . 0.0 110.099 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 110.12 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.457 -1.025 . . . . 0.0 109.619 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.3 mm -72.18 -27.7 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.545 -0.722 . . . . 0.0 109.977 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -81.32 -28.38 34.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.992 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.61 -31.08 71.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.889 . . . . 0.0 109.912 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.06 -30.76 24.88 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.7 mt -59.78 -63.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -1.14 . . . . 0.0 109.968 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -61.18 -21.9 64.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 0.0 110.063 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.5 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.0 t . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.896 . . . . 0.0 110.12 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -39.28 70.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -1.07 . . . . 0.0 109.819 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 mm -74.75 -29.96 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.441 -0.787 . . . . 0.0 109.72 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . 0.458 ' CZ3' ' CG2' ' A' ' 9' ' ' ILE . 22.7 t-105 -80.75 -30.05 36.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.424 -0.798 . . . . 0.0 110.01 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -58.57 -39.7 81.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.34 53.9 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 5' ' ' ILE . 6.8 mt -59.43 -63.47 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -1.09 . . . . 0.0 110.093 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' SER . 12.2 ptmm? -50.73 -27.99 8.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.286 -0.884 . . . . 0.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 110.024 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -48.56 67.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.253 -1.145 . . . . 0.0 109.241 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 5' ' ' ILE . 16.0 mm -70.44 -25.0 26.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.538 -0.727 . . . . 0.0 109.473 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -78.06 -27.03 48.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.802 . . . . 0.0 110.02 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -41.38 74.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 110.015 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.03 -28.63 56.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 5' ' ' ILE . 25.3 mt -62.15 -57.84 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -1.083 . . . . 0.0 110.138 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 ptmm? -59.79 -22.85 62.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 0.0 110.156 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . 0.472 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.5 t . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.166 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.236 0.541 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.84 -4.63 58.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 110.225 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.59 84.18 0.09 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -51.13 37.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -1.16 . . . . 0.0 109.618 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.464 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.8 mm -67.35 -22.75 29.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.491 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -75.35 -30.05 60.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -38.94 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.4 -34.23 36.84 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.464 HG13 ' O ' ' A' ' 5' ' ' ILE . 17.0 mt -61.48 -55.19 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -1.104 . . . . 0.0 110.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.487 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.18 -22.38 51.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.487 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 35.6 t -79.68 -29.27 40.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -15.38 61.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.246 -0.909 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.56 -57.43 0.11 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.243 -0.91 . . . . 0.0 110.198 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 1' ' ' ILE . 1.6 tp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.298 0.57 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.506 ' O ' ' CD1' ' A' ' 2' ' ' LEU . 3.4 tm? -77.93 -22.14 50.04 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.212 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -101.13 63.57 0.54 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -64.7 -44.28 90.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.336 -1.096 . . . . 0.0 109.573 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.418 HG23 HD13 ' A' ' 5' ' ' ILE . 8.9 mm -69.17 -27.74 36.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.559 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -73.04 -24.6 60.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.815 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -64.77 -28.37 69.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.136 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.15 -30.64 27.78 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.449 HD12 HG22 ' A' ' 9' ' ' ILE . 50.5 mt -68.14 -73.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -1.118 . . . . 0.0 110.128 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -51.48 -20.59 1.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.9 . . . . 0.0 110.18 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 9.9 t -78.6 -24.71 45.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.06 -2.03 41.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.173 -0.954 . . . . 0.0 110.229 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.51 43.02 2.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 110.226 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.25 0.548 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 2' ' ' LEU . 12.4 tp -75.68 0.65 16.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.899 . . . . 0.0 110.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.94 66.96 0.23 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -63.49 -44.7 93.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -1.108 . . . . 0.0 109.771 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.446 ' O ' HG13 ' A' ' 9' ' ' ILE . 7.0 mm -67.19 -28.62 43.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.53 -0.731 . . . . 0.0 109.894 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.457 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 t-105 -75.61 -27.86 58.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.102 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.31 -33.96 66.07 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.32 -0.862 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.48 -29.33 30.33 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.446 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.5 mt -71.51 -42.3 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -1.147 . . . . 0.0 110.174 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HG2' ' O ' ' A' ' 6' ' ' TRP . 6.2 ptmt -70.07 -24.88 63.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 0.0 110.196 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -81.43 -23.03 37.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.182 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.18 -24.06 24.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -48.36 37.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -0.922 . . . . 0.0 110.235 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 44.7 mt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.324 0.583 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -50.05 -23.11 1.89 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 110.168 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.411 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -176.35 74.41 0.08 OUTLIER Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -38.67 77.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -1.08 . . . . 0.0 109.974 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.451 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.8 mm -73.27 -30.07 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.905 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.433 ' CE2' ' HD2' ' A' ' 10' ' ' LYS . 22.3 t-105 -80.59 -33.54 35.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 0.0 110.142 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.463 ' O ' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER -59.99 -27.62 67.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 110.02 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.5 -34.2 20.34 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 5' ' ' ILE . 9.3 mt -62.75 -68.99 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.258 -1.142 . . . . 0.0 110.155 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.433 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 18.4 ptmt -55.06 -25.99 34.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 110.152 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.463 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 3.6 t -78.44 -29.11 46.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.184 -0.947 . . . . 0.0 110.261 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.11 -26.39 67.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.223 -0.923 . . . . 0.0 110.186 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.8 157.58 25.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 0.0 110.218 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.217 0.532 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 2' ' ' LEU . 2.1 tp -85.03 -11.54 55.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.929 . . . . 0.0 110.21 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.71 83.57 0.05 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -71.21 -44.25 65.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.265 -1.139 . . . . 0.0 109.646 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.6 mm -71.95 -28.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.523 -0.736 . . . . 0.0 109.668 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -76.64 -26.52 54.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.377 -0.827 . . . . 0.0 110.017 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -63.26 -32.34 73.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.995 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' ' CD1' ' A' ' 12' ' ' LEU . . . -79.87 -30.39 43.44 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.0 mt -67.66 -53.32 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.259 -1.142 . . . . 0.0 110.064 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -25.56 62.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.163 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.5 -24.81 42.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.347 -0.846 . . . . 0.0 110.225 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 1.4 mp -97.43 -28.82 13.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.44 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER 176.93 97.26 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.0 110.176 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 1' ' ' ILE . 10.8 pt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.246 0.546 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -12.32 61.54 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.261 -0.899 . . . . 0.0 110.227 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.09 50.34 3.37 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.69 -31.84 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.334 -1.098 . . . . 0.0 109.431 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . 12.7 mm -78.28 -25.03 13.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.464 -0.773 . . . . 0.0 109.659 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -78.08 -26.32 48.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -30.04 71.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.339 -0.85 . . . . 0.0 110.139 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 -31.44 26.65 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG23 HD13 ' A' ' 9' ' ' ILE . 40.7 mt -63.94 -65.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -1.165 . . . . 0.0 110.086 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -22.09 25.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 110.121 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 t -78.88 -21.24 47.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.932 . . . . 0.0 110.283 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.16 -66.3 0.93 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.178 -0.951 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.72 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.314 -0.866 . . . . 0.0 110.205 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 O-C-N 119.814 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.441 HG22 ' O ' ' A' ' 1' ' ' ILE . 3.7 tp . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.267 0.556 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.47 -24.13 66.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.906 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.13 86.79 0.91 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -69.03 -52.25 30.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -1.176 . . . . 0.0 109.495 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.452 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.0 mm -67.2 -28.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 O-C-N 121.501 -0.75 . . . . 0.0 109.467 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -74.84 -25.27 58.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 109.894 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -42.22 72.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.0 -29.07 55.22 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.8 mt -68.7 -50.03 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -1.113 . . . . 0.0 110.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -64.81 -23.72 67.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.245 -0.909 . . . . 0.0 110.211 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.449 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 36.1 t -81.38 -20.55 40.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 0.0 110.132 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.73 -25.85 40.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.284 -0.885 . . . . 0.0 110.194 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.17 100.7 2.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 110.143 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.24 0.543 . . . . 0.0 110.234 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -20.48 30.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.25 -0.906 . . . . 0.0 110.245 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.65 54.85 4.84 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.34 -36.02 82.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.363 -1.08 . . . . 0.0 109.562 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.457 ' O ' HG13 ' A' ' 9' ' ' ILE . 9.7 mm -74.29 -29.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.541 -0.724 . . . . 0.0 109.727 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.0 t-105 -75.06 -27.89 60.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.819 . . . . 0.0 109.977 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -27.11 68.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.66 -33.63 27.19 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 HG21 HD13 ' A' ' 9' ' ' ILE . 31.5 mt -67.6 -56.93 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.24 -1.153 . . . . 0.0 110.162 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.01 -24.99 42.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.251 -0.906 . . . . 0.0 110.199 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -72.75 -24.26 60.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.422 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -87.5 -31.33 20.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.0 110.277 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 175.6 117.76 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.236 -0.915 . . . . 0.0 110.144 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.417 HG12 ' HG2' ' A' ' 4' ' ' LYS . 1.4 pt . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.197 0.523 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.4 tp -45.03 -28.4 0.69 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.203 -0.935 . . . . 0.0 110.521 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.24 82.84 0.05 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.417 ' HG2' HG12 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -75.31 -37.0 61.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.294 -1.121 . . . . 0.0 109.612 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.442 ' O ' HG13 ' A' ' 9' ' ' ILE . 34.3 mm -75.68 -28.29 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.511 -0.743 . . . . 0.0 109.725 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.534 ' CZ3' HG23 ' A' ' 9' ' ' ILE . 36.7 t-105 -79.22 -21.52 46.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.383 -0.823 . . . . 0.0 110.08 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' O ' ' HB3' ' A' ' 11' ' ' SER . 1.3 mt-10 -67.56 -30.68 70.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 110.184 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -84.79 -33.49 18.51 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.534 HG23 ' CZ3' ' A' ' 6' ' ' TRP . 13.5 mt -57.36 -68.02 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -1.131 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -57.74 -21.84 43.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 110.204 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.469 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 1.2 t -85.17 -17.36 37.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 0.0 110.276 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 1.1 mp -102.94 -33.34 9.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.274 -0.891 . . . . 0.0 110.415 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.24 -46.49 10.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.208 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.422 HD12 ' HB2' ' A' ' 4' ' ' LYS . 8.6 pt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.19 0.519 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.75 -25.12 64.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.9 . . . . 0.0 110.308 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.55 84.14 0.09 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.422 ' HB2' HD12 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -71.16 -42.07 69.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -1.156 . . . . 0.0 109.573 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mm -72.84 -25.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.508 -0.745 . . . . 0.0 109.455 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.555 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 36.6 t-105 -76.09 -26.3 56.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.825 . . . . 0.0 109.936 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.64 -34.7 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.935 . . . . 0.0 110.022 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.64 37.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.82 -63.35 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.219 -1.165 . . . . 0.0 110.192 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.555 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -54.44 -23.75 17.27 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 0.0 110.096 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -26.33 60.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.293 -0.879 . . . . 0.0 110.144 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -80.96 -28.51 35.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.284 -0.885 . . . . 0.0 110.283 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.97 -13.16 16.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.287 -0.883 . . . . 0.0 110.244 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.46 HD12 ' HG3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.303 0.573 . . . . 0.0 110.171 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.44 -17.41 64.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 110.194 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.53 83.7 0.12 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.46 ' HG3' HD12 ' A' ' 1' ' ' ILE . 7.7 ttmm -70.9 -51.53 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -1.152 . . . . 0.0 109.639 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.456 ' O ' HG13 ' A' ' 9' ' ' ILE . 17.8 mm -66.7 -26.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.496 -0.753 . . . . 0.0 109.655 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.566 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.0 t-105 -74.93 -27.17 60.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 109.996 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.436 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.7 tp10 -54.0 -40.37 66.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.915 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.02 -25.9 56.76 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.457 HG22 ' CZ3' ' A' ' 6' ' ' TRP . 20.1 mt -74.21 -52.34 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.298 -1.119 . . . . 0.0 110.127 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.566 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 6.5 pttp -61.6 -17.33 54.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.159 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.45 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -83.38 -21.56 33.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 110.216 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -84.28 -27.32 27.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.185 -0.947 . . . . 0.0 110.176 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 42.57 52.88 4.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.344 -0.848 . . . . 0.0 110.206 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.519 ' O ' ' CG2' ' A' ' 1' ' ' ILE . 8.3 tp . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.19 0.519 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ILE . 21.0 tp -44.23 -26.22 0.3 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.243 -0.911 . . . . 0.0 110.201 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.15 56.04 0.33 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.74 76.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.401 -1.058 . . . . 0.0 109.548 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -77.28 -28.76 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 109.818 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.403 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 41.9 t-105 -80.17 -26.64 39.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.48 -30.62 71.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 -30.8 26.91 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -62.81 -60.1 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.241 -1.152 . . . . 0.0 110.124 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 11' ' ' SER . 2.8 ptpt -59.99 -25.4 65.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.904 . . . . 0.0 110.05 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.5 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 32.1 t -82.22 -14.59 55.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.085 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -89.12 -35.1 16.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.32 -0.863 . . . . 0.0 110.228 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.465 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER 53.67 105.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.301 -0.874 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.838 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.502 ' CG1' ' HB2' ' A' ' 4' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.246 0.546 . . . . 0.0 110.221 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.43 -87.83 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.0 110.083 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.27 58.46 0.51 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.502 ' HB2' ' CG1' ' A' ' 1' ' ' ILE . 2.0 ttmm -63.57 -32.76 74.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -1.135 . . . . 0.0 109.502 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -74.13 -36.09 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.458 -0.776 . . . . 0.0 109.838 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -77.07 -28.58 54.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.73 -27.86 69.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.283 -0.885 . . . . 0.0 109.889 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.37 -31.93 32.62 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.4 mt -69.58 -53.19 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HD3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.77 -26.33 63.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.292 -0.88 . . . . 0.0 110.059 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.441 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -83.25 -26.45 30.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.81 -18.13 25.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.065 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.51 123.86 51.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.341 -0.849 . . . . 0.0 110.207 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.918 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.211 0.529 . . . . 0.0 110.18 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -29.26 50.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.149 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.69 51.36 0.09 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.14 77.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.367 -1.078 . . . . 0.0 109.386 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mm -77.33 -30.49 17.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.577 -0.702 . . . . 0.0 109.688 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -78.51 -26.91 46.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.359 -0.838 . . . . 0.0 109.85 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -63.58 -30.79 71.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 0.0 109.892 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.42 -28.98 41.75 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.9 mt -67.63 -59.74 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.379 -1.071 . . . . 0.0 109.939 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.06 -24.23 66.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 110.091 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.0 t -80.6 -24.47 39.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -76.8 -27.37 55.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 110.178 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -41.84 13.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.203 -0.936 . . . . 0.0 110.134 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.833 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 18.7 mt . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.202 0.525 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.1 tt -46.78 -23.63 0.45 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.885 . . . . 0.0 110.213 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.77 85.25 0.09 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -72.67 -50.08 27.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.285 -1.127 . . . . 0.0 109.67 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.505 HD12 HG22 ' A' ' 5' ' ' ILE . 20.1 mm -68.6 -24.67 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.461 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.4 t-105 -77.54 -26.74 51.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -41.24 64.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.254 -0.904 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.39 -28.78 42.67 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG23 ' CE3' ' A' ' 6' ' ' TRP . 9.8 mt -65.47 -54.31 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -1.096 . . . . 0.0 110.123 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.461 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -62.04 -24.66 67.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -84.67 -9.83 57.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.219 -0.926 . . . . 0.0 110.172 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.457 HD21 ' HB2' ' A' ' 13' ' ' PHE . 5.4 tt -87.09 -31.17 20.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.263 -0.898 . . . . 0.0 110.227 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.457 ' HB2' HD21 ' A' ' 12' ' ' LEU . 0.0 OUTLIER -137.07 -74.25 0.42 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 0.0 110.148 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.472 HD13 ' HD2' ' A' ' 4' ' ' LYS . 7.6 pt . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.252 0.549 . . . . 0.0 110.212 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.23 -28.54 0.53 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.912 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.87 81.01 0.04 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.472 ' HD2' HD13 ' A' ' 1' ' ' ILE . 5.0 tptt -71.31 -50.8 28.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.363 -1.08 . . . . 0.0 109.358 179.374 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 9' ' ' ILE . 29.6 mm -63.31 -27.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.671 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.453 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 29.4 t-105 -69.96 -32.62 70.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.356 -0.84 . . . . 0.0 110.011 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.96 -30.43 67.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.26 -28.92 52.04 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.1 mt -77.82 -51.0 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -1.137 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -56.74 -24.38 49.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.231 -0.918 . . . . 0.0 110.168 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 26.3 t -83.49 -18.75 37.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.257 -0.902 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.51 -41.01 7.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.255 -0.903 . . . . 0.0 110.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.88 133.81 36.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.328 -0.857 . . . . 0.0 110.138 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.279 0.562 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.453 ' O ' HD12 ' A' ' 2' ' ' LEU . 0.2 OUTLIER -68.51 -6.55 25.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.313 -0.867 . . . . 0.0 110.196 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.22 74.26 0.37 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -41.3 78.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.32 -1.106 . . . . 0.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.57 -28.54 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 109.741 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.534 ' CZ3' HG22 ' A' ' 9' ' ' ILE . 33.0 t-105 -74.27 -25.14 59.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.381 -0.824 . . . . 0.0 109.852 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.93 -31.7 71.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 109.882 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.87 -29.24 35.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.534 HG22 ' CZ3' ' A' ' 6' ' ' TRP . 49.2 mt -70.85 -63.12 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -1.15 . . . . 0.0 110.101 179.863 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.486 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -53.39 -26.36 19.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.232 -0.917 . . . . 0.0 110.099 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m -70.05 -30.15 67.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 110.12 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -25.48 61.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 110.157 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 55.73 -158.39 0.22 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.308 -0.87 . . . . 0.0 110.221 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 4.1 pt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.259 0.552 . . . . 0.0 110.213 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -7.66 26.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.232 -0.917 . . . . 0.0 110.156 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.54 55.66 2.91 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.457 -1.025 . . . . 0.0 109.619 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.46 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.3 mm -72.18 -27.7 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.545 -0.722 . . . . 0.0 109.977 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -81.32 -28.38 34.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.992 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.61 -31.08 71.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.889 . . . . 0.0 109.912 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.465 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -85.06 -30.76 24.88 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.7 mt -59.78 -63.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -1.14 . . . . 0.0 109.968 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -61.18 -21.9 64.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 0.0 110.063 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.5 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.0 t -84.96 -27.22 26.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.896 . . . . 0.0 110.12 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.6 OUTLIER -78.31 -4.33 47.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 110.225 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.43 132.79 40.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.448 HG21 ' O ' ' A' ' 1' ' ' ILE . 4.5 tp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.298 0.57 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.93 -89.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 110.111 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.6 79.27 0.24 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -39.28 70.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -1.07 . . . . 0.0 109.819 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 mm -74.75 -29.96 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.441 -0.787 . . . . 0.0 109.72 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . 0.458 ' CZ3' ' CG2' ' A' ' 9' ' ' ILE . 22.7 t-105 -80.75 -30.05 36.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.424 -0.798 . . . . 0.0 110.01 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -58.57 -39.7 81.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.47 ' O ' HD12 ' A' ' 12' ' ' LEU . . . -75.28 -33.34 53.9 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 5' ' ' ILE . 6.8 mt -59.43 -63.47 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -1.09 . . . . 0.0 110.093 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.426 ' HG3' ' N ' ' A' ' 11' ' ' SER . 12.2 ptmm? -50.73 -27.99 8.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.286 -0.884 . . . . 0.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.426 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -75.75 -25.75 56.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 110.024 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.47 HD12 ' O ' ' A' ' 8' ' ' GLY . 0.3 OUTLIER -109.79 -75.03 0.63 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.055 179.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -154.86 0.08 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 110.181 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ILE . . . . . 0.465 HD11 ' HB2' ' A' ' 4' ' ' LYS . 5.5 tt . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.179 0.514 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.404 HD12 ' HA ' ' A' ' 2' ' ' LEU . 2.4 mm? -85.13 -25.45 27.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.345 -0.847 . . . . 0.0 110.36 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.74 90.36 0.08 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.465 ' HB2' HD11 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -67.36 -48.56 67.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.253 -1.145 . . . . 0.0 109.241 179.51 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.434 HG21 HD11 ' A' ' 5' ' ' ILE . 16.0 mm -70.44 -25.0 26.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.538 -0.727 . . . . 0.0 109.473 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 44.6 t-105 -78.06 -27.03 48.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.802 . . . . 0.0 110.02 179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -41.38 74.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 110.015 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.03 -28.63 56.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 5' ' ' ILE . 25.3 mt -62.15 -57.84 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -1.083 . . . . 0.0 110.138 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 ptmm? -59.79 -22.85 62.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 0.0 110.156 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . 0.472 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.5 t -84.35 -23.31 30.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.166 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.4 tt -83.86 -23.39 31.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 0.0 110.181 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.83 65.53 0.79 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -0.914 . . . . 0.0 110.174 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -51.13 37.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -1.16 . . . . 0.0 109.618 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.8 mm -67.35 -22.75 29.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.491 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -75.35 -30.05 60.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -38.94 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.4 -34.23 36.84 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 5' ' ' ILE . 17.0 mt -61.48 -55.19 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -1.104 . . . . 0.0 110.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.18 -22.38 51.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 35.6 t . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -64.7 -44.28 90.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.336 -1.096 . . . . 0.0 109.573 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.9 mm -69.17 -27.74 36.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.559 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -73.04 -24.6 60.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.815 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -64.77 -28.37 69.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.136 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.15 -30.64 27.78 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 5' ' ' ILE . 50.5 mt -68.14 -73.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -1.118 . . . . 0.0 110.128 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -51.48 -20.59 1.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.9 . . . . 0.0 110.18 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 9.9 t . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 110.207 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -63.49 -44.7 93.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -1.108 . . . . 0.0 109.771 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . 7.0 mm -67.19 -28.62 43.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.53 -0.731 . . . . 0.0 109.894 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 t-105 -75.61 -27.86 58.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.102 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.31 -33.96 66.07 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.32 -0.862 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.48 -29.33 30.33 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.5 mt -71.51 -42.3 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -1.147 . . . . 0.0 110.174 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 11' ' ' SER . 6.2 ptmt -70.07 -24.88 63.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 0.0 110.196 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.182 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -38.67 77.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -1.08 . . . . 0.0 109.974 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.8 mm -73.27 -30.07 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.905 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.431 ' CE2' ' HD2' ' A' ' 10' ' ' LYS . 22.3 t-105 -80.59 -33.54 35.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 0.0 110.142 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER -59.99 -27.62 67.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 110.02 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.5 -34.2 20.34 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 5' ' ' ILE . 9.3 mt -62.75 -68.99 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.258 -1.142 . . . . 0.0 110.155 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 18.4 ptmt -55.06 -25.99 34.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 110.152 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 3.6 t . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.184 -0.947 . . . . 0.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -71.21 -44.25 65.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.265 -1.139 . . . . 0.0 109.646 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.6 mm -71.95 -28.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.523 -0.736 . . . . 0.0 109.668 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -76.64 -26.52 54.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.377 -0.827 . . . . 0.0 110.017 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 3.9 tt0 -63.26 -32.34 73.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.995 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.87 -30.39 43.44 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.0 mt -67.66 -53.32 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.259 -1.142 . . . . 0.0 110.064 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -58.52 -25.56 62.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.163 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.347 -0.846 . . . . 0.0 110.225 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.69 -31.84 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.334 -1.098 . . . . 0.0 109.431 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 9' ' ' ILE . 12.7 mm -78.28 -25.03 13.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.464 -0.773 . . . . 0.0 109.659 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -78.08 -26.32 48.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -30.04 71.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.339 -0.85 . . . . 0.0 110.139 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 -31.44 26.65 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 5' ' ' ILE . 40.7 mt -63.94 -65.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -1.165 . . . . 0.0 110.086 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -22.09 25.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 110.121 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.932 . . . . 0.0 110.283 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -69.03 -52.25 30.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -1.176 . . . . 0.0 109.495 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.0 mm -67.2 -28.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 O-C-N 121.501 -0.75 . . . . 0.0 109.467 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -74.84 -25.27 58.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 109.894 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -42.22 72.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.0 -29.07 55.22 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.8 mt -68.7 -50.03 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -1.113 . . . . 0.0 110.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -64.81 -23.72 67.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.245 -0.909 . . . . 0.0 110.211 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 36.1 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 0.0 110.132 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.34 -36.02 82.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.363 -1.08 . . . . 0.0 109.562 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' ILE . 9.7 mm -74.29 -29.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.541 -0.724 . . . . 0.0 109.727 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.418 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 36.0 t-105 -75.06 -27.89 60.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.819 . . . . 0.0 109.977 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -27.11 68.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.66 -33.63 27.19 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 5' ' ' ILE . 31.5 mt -67.6 -56.93 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.24 -1.153 . . . . 0.0 110.162 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -56.01 -24.99 42.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.251 -0.906 . . . . 0.0 110.199 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 110.281 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -37.0 61.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.294 -1.121 . . . . 0.0 109.612 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 9' ' ' ILE . 34.3 mm -75.68 -28.29 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.511 -0.743 . . . . 0.0 109.725 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -79.22 -21.52 46.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.383 -0.823 . . . . 0.0 110.08 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' SER . 1.3 mt-10 -67.56 -30.68 70.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 110.184 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.79 -33.49 18.51 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 5' ' ' ILE . 13.5 mt -57.36 -68.02 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -1.131 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -57.74 -21.84 43.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 110.204 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 1.2 t . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 0.0 110.276 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -71.16 -42.07 69.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -1.156 . . . . 0.0 109.573 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mm -72.84 -25.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.508 -0.745 . . . . 0.0 109.455 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 36.6 t-105 -76.09 -26.3 56.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.825 . . . . 0.0 109.936 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.64 -34.7 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.935 . . . . 0.0 110.022 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.64 37.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.82 -63.35 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.219 -1.165 . . . . 0.0 110.192 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -54.44 -23.75 17.27 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 0.0 110.096 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.293 -0.879 . . . . 0.0 110.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -70.9 -51.53 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -1.152 . . . . 0.0 109.639 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 9' ' ' ILE . 17.8 mm -66.7 -26.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.496 -0.753 . . . . 0.0 109.655 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.0 t-105 -74.93 -27.17 60.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 109.996 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.488 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.7 tp10 -54.0 -40.37 66.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.915 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.02 -25.9 56.76 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 5' ' ' ILE . 20.1 mt -74.21 -52.34 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.298 -1.119 . . . . 0.0 110.127 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 6.5 pttp -61.6 -17.33 54.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.159 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 110.216 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.74 76.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.401 -1.058 . . . . 0.0 109.548 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -77.28 -28.76 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 109.818 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.415 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 41.9 t-105 -80.17 -26.64 39.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.48 -30.62 71.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 -30.8 26.91 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -62.81 -60.1 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.241 -1.152 . . . . 0.0 110.124 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 11' ' ' SER . 2.8 ptpt -59.99 -25.4 65.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.904 . . . . 0.0 110.05 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 32.1 t . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.085 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -63.57 -32.76 74.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -1.135 . . . . 0.0 109.502 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -74.13 -36.09 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.458 -0.776 . . . . 0.0 109.838 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -77.07 -28.58 54.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.73 -27.86 69.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.283 -0.885 . . . . 0.0 109.889 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.37 -31.93 32.62 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.4 mt -69.58 -53.19 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.77 -26.33 63.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.292 -0.88 . . . . 0.0 110.059 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.449 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.14 77.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.367 -1.078 . . . . 0.0 109.386 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mm -77.33 -30.49 17.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.577 -0.702 . . . . 0.0 109.688 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -78.51 -26.91 46.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.359 -0.838 . . . . 0.0 109.85 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 11' ' ' SER . 7.0 mm-40 -63.58 -30.79 71.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 0.0 109.892 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.42 -28.98 41.75 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.9 mt -67.63 -59.74 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.379 -1.071 . . . . 0.0 109.939 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.06 -24.23 66.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 110.091 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 2.0 t . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -72.67 -50.08 27.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.285 -1.127 . . . . 0.0 109.67 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 9' ' ' ILE . 20.1 mm -68.6 -24.67 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.4 t-105 -77.54 -26.74 51.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -41.24 64.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.254 -0.904 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.39 -28.78 42.67 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 6' ' ' TRP . 9.8 mt -65.47 -54.31 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -1.096 . . . . 0.0 110.123 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -62.04 -24.66 67.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.219 -0.926 . . . . 0.0 110.172 179.913 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -71.31 -50.8 28.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.363 -1.08 . . . . 0.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 9' ' ' ILE . 29.6 mm -63.31 -27.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.671 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.466 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 29.4 t-105 -69.96 -32.62 70.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.356 -0.84 . . . . 0.0 110.011 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.96 -30.43 67.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.26 -28.92 52.04 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.1 mt -77.82 -51.0 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -1.137 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -56.74 -24.38 49.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.231 -0.918 . . . . 0.0 110.168 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 26.3 t . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.257 -0.902 . . . . 0.0 110.233 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -41.3 78.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.32 -1.106 . . . . 0.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.57 -28.54 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 109.741 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.51 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 33.0 t-105 -74.27 -25.14 59.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.381 -0.824 . . . . 0.0 109.852 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.93 -31.7 71.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 109.882 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.87 -29.24 35.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.2 mt -70.85 -63.12 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -1.15 . . . . 0.0 110.101 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -53.39 -26.36 19.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.232 -0.917 . . . . 0.0 110.099 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 110.12 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.457 -1.025 . . . . 0.0 109.619 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.3 mm -72.18 -27.7 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.545 -0.722 . . . . 0.0 109.977 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -81.32 -28.38 34.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.992 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.61 -31.08 71.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.889 . . . . 0.0 109.912 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.06 -30.76 24.88 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.7 mt -59.78 -63.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -1.14 . . . . 0.0 109.968 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -61.18 -21.9 64.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 0.0 110.063 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.511 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.0 t . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.896 . . . . 0.0 110.12 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -39.28 70.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -1.07 . . . . 0.0 109.819 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 mm -74.75 -29.96 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.441 -0.787 . . . . 0.0 109.72 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.458 ' CZ3' ' CG2' ' A' ' 9' ' ' ILE . 22.7 t-105 -80.75 -30.05 36.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.424 -0.798 . . . . 0.0 110.01 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -58.57 -39.7 81.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.34 53.9 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 5' ' ' ILE . 6.8 mt -59.43 -63.47 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -1.09 . . . . 0.0 110.093 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 11' ' ' SER . 12.2 ptmm? -50.73 -27.99 8.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.286 -0.884 . . . . 0.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 110.024 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -48.56 67.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.253 -1.145 . . . . 0.0 109.241 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 9' ' ' ILE . 16.0 mm -70.44 -25.0 26.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.538 -0.727 . . . . 0.0 109.473 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TRP . . . . . 0.587 ' HA ' HD12 ' A' ' 9' ' ' ILE . 44.6 t-105 -78.06 -27.03 48.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.802 . . . . 0.0 110.02 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -41.38 74.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 110.015 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.03 -28.63 56.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 6' ' ' TRP . 25.3 mt -62.15 -57.84 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -1.083 . . . . 0.0 110.138 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 ptmm? -59.79 -22.85 62.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 0.0 110.156 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.5 t . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.166 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.236 0.541 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.84 -4.63 58.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 110.225 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.59 84.18 0.09 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -51.13 37.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -1.16 . . . . 0.0 109.618 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.8 mm -67.35 -22.75 29.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.491 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -75.35 -30.05 60.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -38.94 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.4 -34.23 36.84 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 5' ' ' ILE . 17.0 mt -61.48 -55.19 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -1.104 . . . . 0.0 110.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.18 -22.38 51.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 35.6 t -79.68 -29.27 40.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -15.38 61.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.246 -0.909 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.56 -57.43 0.11 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.243 -0.91 . . . . 0.0 110.198 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.298 0.57 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.021 HD13 ' O ' ' A' ' 2' ' ' LEU . 3.4 tm? -77.93 -22.14 50.04 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.212 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -101.13 63.57 0.54 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -64.7 -44.28 90.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.336 -1.096 . . . . 0.0 109.573 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.9 mm -69.17 -27.74 36.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.559 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -73.04 -24.6 60.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.815 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -64.77 -28.37 69.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.136 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.15 -30.64 27.78 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 5' ' ' ILE . 50.5 mt -68.14 -73.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -1.118 . . . . 0.0 110.128 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -51.48 -20.59 1.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.9 . . . . 0.0 110.18 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 9.9 t -78.6 -24.71 45.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -98.06 -2.03 41.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.173 -0.954 . . . . 0.0 110.229 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.51 43.02 2.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 110.226 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.25 0.548 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 2' ' ' LEU . 12.4 tp -75.68 0.65 16.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.899 . . . . 0.0 110.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.94 66.96 0.23 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -63.49 -44.7 93.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -1.108 . . . . 0.0 109.771 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . 7.0 mm -67.19 -28.62 43.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.53 -0.731 . . . . 0.0 109.894 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 t-105 -75.61 -27.86 58.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.102 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.31 -33.96 66.07 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.32 -0.862 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.48 -29.33 30.33 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.5 mt -71.51 -42.3 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -1.147 . . . . 0.0 110.174 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 11' ' ' SER . 6.2 ptmt -70.07 -24.88 63.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 0.0 110.196 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -81.43 -23.03 37.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.182 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.18 -24.06 24.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -48.36 37.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -0.922 . . . . 0.0 110.235 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 2' ' ' LEU . 44.7 mt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.324 0.583 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.55 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -50.05 -23.11 1.89 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 110.168 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -176.35 74.41 0.08 OUTLIER Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -69.67 -38.67 77.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -1.08 . . . . 0.0 109.974 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.8 mm -73.27 -30.07 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.905 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.431 ' CE2' ' HD2' ' A' ' 10' ' ' LYS . 22.3 t-105 -80.59 -33.54 35.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 0.0 110.142 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER -59.99 -27.62 67.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 110.02 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.5 -34.2 20.34 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 5' ' ' ILE . 9.3 mt -62.75 -68.99 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.258 -1.142 . . . . 0.0 110.155 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 18.4 ptmt -55.06 -25.99 34.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 110.152 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 3.6 t -78.44 -29.11 46.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.184 -0.947 . . . . 0.0 110.261 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.11 -26.39 67.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.223 -0.923 . . . . 0.0 110.186 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.8 157.58 25.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 0.0 110.218 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.72 HG21 ' HB2' ' A' ' 4' ' ' LYS . 2.0 tt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.217 0.532 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 2' ' ' LEU . 2.1 tp -85.03 -11.54 55.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.929 . . . . 0.0 110.21 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.71 83.57 0.05 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.72 ' HB2' HG21 ' A' ' 1' ' ' ILE . 5.3 tmtm? -71.21 -44.25 65.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.265 -1.139 . . . . 0.0 109.646 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.6 mm -71.95 -28.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.523 -0.736 . . . . 0.0 109.668 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -76.64 -26.52 54.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.377 -0.827 . . . . 0.0 110.017 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 3.9 tt0 -63.26 -32.34 73.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.995 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' ' CD1' ' A' ' 12' ' ' LEU . . . -79.87 -30.39 43.44 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.0 mt -67.66 -53.32 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.259 -1.142 . . . . 0.0 110.064 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -58.52 -25.56 62.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.163 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.5 -24.81 42.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.347 -0.846 . . . . 0.0 110.225 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 1.4 mp -97.43 -28.82 13.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER 176.93 97.26 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.0 110.176 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 1' ' ' ILE . 10.8 pt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.246 0.546 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -12.32 61.54 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.261 -0.899 . . . . 0.0 110.227 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.09 50.34 3.37 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.69 -31.84 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.334 -1.098 . . . . 0.0 109.431 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 9' ' ' ILE . 12.7 mm -78.28 -25.03 13.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.464 -0.773 . . . . 0.0 109.659 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -78.08 -26.32 48.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -30.04 71.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.339 -0.85 . . . . 0.0 110.139 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 -31.44 26.65 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 5' ' ' ILE . 40.7 mt -63.94 -65.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -1.165 . . . . 0.0 110.086 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -22.09 25.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 110.121 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 t -78.88 -21.24 47.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.932 . . . . 0.0 110.283 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.16 -66.3 0.93 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.178 -0.951 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.72 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.314 -0.866 . . . . 0.0 110.205 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 O-C-N 119.814 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.267 0.556 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.47 -24.13 66.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.906 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.13 86.79 0.91 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -69.03 -52.25 30.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -1.176 . . . . 0.0 109.495 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.0 mm -67.2 -28.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 O-C-N 121.501 -0.75 . . . . 0.0 109.467 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -74.84 -25.27 58.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 109.894 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -42.22 72.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.0 -29.07 55.22 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.8 mt -68.7 -50.03 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -1.113 . . . . 0.0 110.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -64.81 -23.72 67.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.245 -0.909 . . . . 0.0 110.211 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 36.1 t -81.38 -20.55 40.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 0.0 110.132 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.73 -25.85 40.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.284 -0.885 . . . . 0.0 110.194 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.17 100.7 2.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 110.143 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.24 0.543 . . . . 0.0 110.234 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -20.48 30.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.25 -0.906 . . . . 0.0 110.245 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.65 54.85 4.84 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.34 -36.02 82.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.363 -1.08 . . . . 0.0 109.562 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' ILE . 9.7 mm -74.29 -29.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.541 -0.724 . . . . 0.0 109.727 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.418 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 36.0 t-105 -75.06 -27.89 60.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.819 . . . . 0.0 109.977 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -27.11 68.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.66 -33.63 27.19 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 5' ' ' ILE . 31.5 mt -67.6 -56.93 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.24 -1.153 . . . . 0.0 110.162 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -56.01 -24.99 42.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.251 -0.906 . . . . 0.0 110.199 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -72.75 -24.26 60.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -87.5 -31.33 20.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.0 110.277 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 175.6 117.76 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.236 -0.915 . . . . 0.0 110.144 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.463 HG12 ' HG2' ' A' ' 4' ' ' LYS . 1.4 pt . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.197 0.523 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.4 tp -45.03 -28.4 0.69 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.203 -0.935 . . . . 0.0 110.521 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.24 82.84 0.05 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' HG2' HG12 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -75.31 -37.0 61.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.294 -1.121 . . . . 0.0 109.612 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 9' ' ' ILE . 34.3 mm -75.68 -28.29 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.511 -0.743 . . . . 0.0 109.725 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -79.22 -21.52 46.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.383 -0.823 . . . . 0.0 110.08 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' SER . 1.3 mt-10 -67.56 -30.68 70.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 110.184 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -84.79 -33.49 18.51 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 5' ' ' ILE . 13.5 mt -57.36 -68.02 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -1.131 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -57.74 -21.84 43.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 110.204 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 1.2 t -85.17 -17.36 37.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 0.0 110.276 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 1.1 mp -102.94 -33.34 9.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.274 -0.891 . . . . 0.0 110.415 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.24 -46.49 10.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.208 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.875 HD11 ' HB2' ' A' ' 4' ' ' LYS . 8.6 pt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.19 0.519 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.75 -25.12 64.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.9 . . . . 0.0 110.308 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.55 84.14 0.09 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.875 ' HB2' HD11 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -71.16 -42.07 69.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -1.156 . . . . 0.0 109.573 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mm -72.84 -25.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.508 -0.745 . . . . 0.0 109.455 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 36.6 t-105 -76.09 -26.3 56.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.825 . . . . 0.0 109.936 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.64 -34.7 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.935 . . . . 0.0 110.022 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.64 37.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.82 -63.35 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.219 -1.165 . . . . 0.0 110.192 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -54.44 -23.75 17.27 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 0.0 110.096 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -26.33 60.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.293 -0.879 . . . . 0.0 110.144 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -80.96 -28.51 35.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.284 -0.885 . . . . 0.0 110.283 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.97 -13.16 16.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.287 -0.883 . . . . 0.0 110.244 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.655 HD11 ' HG3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.303 0.573 . . . . 0.0 110.171 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.44 -17.41 64.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 110.194 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.53 83.7 0.12 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.655 ' HG3' HD11 ' A' ' 1' ' ' ILE . 7.7 ttmm -70.9 -51.53 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -1.152 . . . . 0.0 109.639 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 9' ' ' ILE . 17.8 mm -66.7 -26.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.496 -0.753 . . . . 0.0 109.655 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.0 t-105 -74.93 -27.17 60.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 109.996 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.488 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.7 tp10 -54.0 -40.37 66.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.915 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.02 -25.9 56.76 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 5' ' ' ILE . 20.1 mt -74.21 -52.34 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.298 -1.119 . . . . 0.0 110.127 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 6.5 pttp -61.6 -17.33 54.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.159 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -83.38 -21.56 33.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 110.216 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -84.28 -27.32 27.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.185 -0.947 . . . . 0.0 110.176 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 42.57 52.88 4.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.344 -0.848 . . . . 0.0 110.206 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 1' ' ' ILE . 8.3 tp . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.19 0.519 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ILE . 21.0 tp -44.23 -26.22 0.3 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.243 -0.911 . . . . 0.0 110.201 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.15 56.04 0.33 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.74 76.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.401 -1.058 . . . . 0.0 109.548 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -77.28 -28.76 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 109.818 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.415 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 41.9 t-105 -80.17 -26.64 39.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.48 -30.62 71.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 -30.8 26.91 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -62.81 -60.1 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.241 -1.152 . . . . 0.0 110.124 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 11' ' ' SER . 2.8 ptpt -59.99 -25.4 65.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.904 . . . . 0.0 110.05 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 32.1 t -82.22 -14.59 55.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.085 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -89.12 -35.1 16.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.32 -0.863 . . . . 0.0 110.228 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.465 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER 53.67 105.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.301 -0.874 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.838 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.508 ' CG1' ' HB2' ' A' ' 4' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.246 0.546 . . . . 0.0 110.221 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.43 -87.83 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.0 110.083 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.27 58.46 0.51 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' HB2' ' CG1' ' A' ' 1' ' ' ILE . 2.0 ttmm -63.57 -32.76 74.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -1.135 . . . . 0.0 109.502 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -74.13 -36.09 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.458 -0.776 . . . . 0.0 109.838 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -77.07 -28.58 54.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.73 -27.86 69.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.283 -0.885 . . . . 0.0 109.889 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.37 -31.93 32.62 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.4 mt -69.58 -53.19 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.77 -26.33 63.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.292 -0.88 . . . . 0.0 110.059 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.449 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -83.25 -26.45 30.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.81 -18.13 25.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.065 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.51 123.86 51.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.341 -0.849 . . . . 0.0 110.207 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.918 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.667 ' O ' HG23 ' A' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.211 0.529 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -29.26 50.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.149 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.69 51.36 0.09 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.14 77.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.367 -1.078 . . . . 0.0 109.386 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mm -77.33 -30.49 17.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.577 -0.702 . . . . 0.0 109.688 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -78.51 -26.91 46.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.359 -0.838 . . . . 0.0 109.85 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 11' ' ' SER . 7.0 mm-40 -63.58 -30.79 71.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 0.0 109.892 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.806 ' O ' HD12 ' A' ' 12' ' ' LEU . . . -81.42 -28.98 41.75 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.9 mt -67.63 -59.74 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.379 -1.071 . . . . 0.0 109.939 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.06 -24.23 66.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 110.091 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 2.0 t -80.6 -24.47 39.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -76.8 -27.37 55.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 110.178 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -41.84 13.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.203 -0.936 . . . . 0.0 110.134 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.833 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.561 HG22 ' H ' ' A' ' 2' ' ' LEU . 18.7 mt . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.202 0.525 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.561 ' H ' HG22 ' A' ' 1' ' ' ILE . 8.1 tt -46.78 -23.63 0.45 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.885 . . . . 0.0 110.213 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.77 85.25 0.09 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -72.67 -50.08 27.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.285 -1.127 . . . . 0.0 109.67 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 9' ' ' ILE . 20.1 mm -68.6 -24.67 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.4 t-105 -77.54 -26.74 51.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -41.24 64.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.254 -0.904 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.39 -28.78 42.67 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 6' ' ' TRP . 9.8 mt -65.47 -54.31 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -1.096 . . . . 0.0 110.123 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -62.04 -24.66 67.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -84.67 -9.83 57.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.219 -0.926 . . . . 0.0 110.172 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 tt -87.09 -31.17 20.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.263 -0.898 . . . . 0.0 110.227 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.07 -74.25 0.42 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 0.0 110.148 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.252 0.549 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.23 -28.54 0.53 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.912 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.87 81.01 0.04 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -71.31 -50.8 28.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.363 -1.08 . . . . 0.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 9' ' ' ILE . 29.6 mm -63.31 -27.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.671 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.466 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 29.4 t-105 -69.96 -32.62 70.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.356 -0.84 . . . . 0.0 110.011 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.96 -30.43 67.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.26 -28.92 52.04 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.1 mt -77.82 -51.0 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -1.137 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -56.74 -24.38 49.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.231 -0.918 . . . . 0.0 110.168 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 26.3 t -83.49 -18.75 37.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.257 -0.902 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.51 -41.01 7.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.255 -0.903 . . . . 0.0 110.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.88 133.81 36.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.328 -0.857 . . . . 0.0 110.138 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.279 0.562 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -6.55 25.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.313 -0.867 . . . . 0.0 110.196 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.22 74.26 0.37 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -41.3 78.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.32 -1.106 . . . . 0.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.57 -28.54 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 109.741 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.51 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 33.0 t-105 -74.27 -25.14 59.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.381 -0.824 . . . . 0.0 109.852 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.93 -31.7 71.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 109.882 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.87 -29.24 35.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.2 mt -70.85 -63.12 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -1.15 . . . . 0.0 110.101 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -53.39 -26.36 19.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.232 -0.917 . . . . 0.0 110.099 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m -70.05 -30.15 67.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 110.12 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -25.48 61.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 110.157 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 55.73 -158.39 0.22 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.308 -0.87 . . . . 0.0 110.221 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.768 HD12 ' OE2' ' A' ' 7' ' ' GLU . 4.1 pt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.259 0.552 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -7.66 26.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.232 -0.917 . . . . 0.0 110.156 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.54 55.66 2.91 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.457 -1.025 . . . . 0.0 109.619 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.3 mm -72.18 -27.7 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.545 -0.722 . . . . 0.0 109.977 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -81.32 -28.38 34.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.992 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.768 ' OE2' HD12 ' A' ' 1' ' ' ILE . 4.3 mt-10 -61.61 -31.08 71.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.889 . . . . 0.0 109.912 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -85.06 -30.76 24.88 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.7 mt -59.78 -63.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -1.14 . . . . 0.0 109.968 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -61.18 -21.9 64.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 0.0 110.063 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.511 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.0 t -84.96 -27.22 26.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.896 . . . . 0.0 110.12 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.6 OUTLIER -78.31 -4.33 47.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 110.225 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.43 132.79 40.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 1' ' ' ILE . 4.5 tp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.298 0.57 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.93 -89.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 110.111 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.6 79.27 0.24 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -39.28 70.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -1.07 . . . . 0.0 109.819 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 mm -74.75 -29.96 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.441 -0.787 . . . . 0.0 109.72 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.458 ' CZ3' ' CG2' ' A' ' 9' ' ' ILE . 22.7 t-105 -80.75 -30.05 36.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.424 -0.798 . . . . 0.0 110.01 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -58.57 -39.7 81.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.34 53.9 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 5' ' ' ILE . 6.8 mt -59.43 -63.47 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -1.09 . . . . 0.0 110.093 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 11' ' ' SER . 12.2 ptmm? -50.73 -27.99 8.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.286 -0.884 . . . . 0.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -75.75 -25.75 56.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 110.024 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -75.03 0.63 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.055 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -154.86 0.08 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 110.181 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ILE . . . . . 0.522 HD11 ' HG2' ' A' ' 4' ' ' LYS . 5.5 tt . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.179 0.514 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' A' ' 2' ' ' LEU . 2.4 mm? -85.13 -25.45 27.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.345 -0.847 . . . . 0.0 110.36 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.74 90.36 0.08 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HG2' HD11 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -67.36 -48.56 67.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.253 -1.145 . . . . 0.0 109.241 179.51 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 9' ' ' ILE . 16.0 mm -70.44 -25.0 26.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.538 -0.727 . . . . 0.0 109.473 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' HA ' HD12 ' A' ' 9' ' ' ILE . 44.6 t-105 -78.06 -27.03 48.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.802 . . . . 0.0 110.02 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -41.38 74.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 110.015 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.03 -28.63 56.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 6' ' ' TRP . 25.3 mt -62.15 -57.84 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -1.083 . . . . 0.0 110.138 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 ptmm? -59.79 -22.85 62.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 0.0 110.156 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.5 t -84.35 -23.31 30.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.166 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 12' ' ' LEU . 10.4 tt -83.86 -23.39 31.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 0.0 110.181 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.83 65.53 0.79 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -0.914 . . . . 0.0 110.174 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.254 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -51.13 37.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -1.16 . . . . 0.0 109.618 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.8 mm -67.35 -22.75 29.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.491 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -75.35 -30.05 60.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -38.94 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.4 -34.23 36.84 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 5' ' ' ILE . 17.0 mt -61.48 -55.19 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -1.104 . . . . 0.0 110.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.18 -22.38 51.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 35.6 t . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 110.265 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -64.7 -44.28 90.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.336 -1.096 . . . . 0.0 109.573 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.9 mm -69.17 -27.74 36.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.559 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -73.04 -24.6 60.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.815 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -64.77 -28.37 69.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.136 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.15 -30.64 27.78 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 5' ' ' ILE . 50.5 mt -68.14 -73.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -1.118 . . . . 0.0 110.128 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -51.48 -20.59 1.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.9 . . . . 0.0 110.18 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 9.9 t . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 110.207 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.218 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -63.49 -44.7 93.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -1.108 . . . . 0.0 109.771 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . 7.0 mm -67.19 -28.62 43.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.53 -0.731 . . . . 0.0 109.894 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 t-105 -75.61 -27.86 58.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.102 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.31 -33.96 66.07 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.32 -0.862 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.48 -29.33 30.33 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.5 mt -71.51 -42.3 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -1.147 . . . . 0.0 110.174 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 11' ' ' SER . 6.2 ptmt -70.07 -24.88 63.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 0.0 110.196 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.182 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -38.67 77.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -1.08 . . . . 0.0 109.974 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.8 mm -73.27 -30.07 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.905 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.431 ' CE2' ' HD2' ' A' ' 10' ' ' LYS . 22.3 t-105 -80.59 -33.54 35.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 0.0 110.142 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER -59.99 -27.62 67.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 110.02 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.5 -34.2 20.34 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 5' ' ' ILE . 9.3 mt -62.75 -68.99 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.258 -1.142 . . . . 0.0 110.155 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 18.4 ptmt -55.06 -25.99 34.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 110.152 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 3.6 t . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.184 -0.947 . . . . 0.0 110.261 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 tmtm? -71.21 -44.25 65.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.265 -1.139 . . . . 0.0 109.646 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.6 mm -71.95 -28.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.523 -0.736 . . . . 0.0 109.668 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -76.64 -26.52 54.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.377 -0.827 . . . . 0.0 110.017 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 3.9 tt0 -63.26 -32.34 73.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.995 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.87 -30.39 43.44 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.0 mt -67.66 -53.32 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.259 -1.142 . . . . 0.0 110.064 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -58.52 -25.56 62.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.163 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.347 -0.846 . . . . 0.0 110.225 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.265 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.69 -31.84 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.334 -1.098 . . . . 0.0 109.431 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 9' ' ' ILE . 12.7 mm -78.28 -25.03 13.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.464 -0.773 . . . . 0.0 109.659 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -78.08 -26.32 48.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -30.04 71.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.339 -0.85 . . . . 0.0 110.139 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 -31.44 26.65 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 5' ' ' ILE . 40.7 mt -63.94 -65.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -1.165 . . . . 0.0 110.086 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -22.09 25.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 110.121 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 t . . . . . 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.932 . . . . 0.0 110.283 -179.922 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.317 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -69.03 -52.25 30.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -1.176 . . . . 0.0 109.495 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.0 mm -67.2 -28.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 O-C-N 121.501 -0.75 . . . . 0.0 109.467 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -74.84 -25.27 58.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 109.894 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -42.22 72.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.0 -29.07 55.22 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.8 mt -68.7 -50.03 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -1.113 . . . . 0.0 110.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -64.81 -23.72 67.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.245 -0.909 . . . . 0.0 110.211 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 36.1 t . . . . . 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 0.0 110.132 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.34 -36.02 82.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.363 -1.08 . . . . 0.0 109.562 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' ILE . 9.7 mm -74.29 -29.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.541 -0.724 . . . . 0.0 109.727 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.418 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 36.0 t-105 -75.06 -27.89 60.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.819 . . . . 0.0 109.977 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -27.11 68.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.66 -33.63 27.19 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 5' ' ' ILE . 31.5 mt -67.6 -56.93 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.24 -1.153 . . . . 0.0 110.162 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -56.01 -24.99 42.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.251 -0.906 . . . . 0.0 110.199 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 110.281 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -75.31 -37.0 61.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.294 -1.121 . . . . 0.0 109.612 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 9' ' ' ILE . 34.3 mm -75.68 -28.29 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.511 -0.743 . . . . 0.0 109.725 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -79.22 -21.52 46.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.383 -0.823 . . . . 0.0 110.08 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' SER . 1.3 mt-10 -67.56 -30.68 70.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 110.184 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.79 -33.49 18.51 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 5' ' ' ILE . 13.5 mt -57.36 -68.02 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -1.131 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -57.74 -21.84 43.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 110.204 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 1.2 t . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 0.0 110.276 -179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.315 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HD2' ' O ' ' A' ' 4' ' ' LYS . 0.1 OUTLIER -71.16 -42.07 69.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -1.156 . . . . 0.0 109.573 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mm -72.84 -25.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.508 -0.745 . . . . 0.0 109.455 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 36.6 t-105 -76.09 -26.3 56.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.825 . . . . 0.0 109.936 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.64 -34.7 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.935 . . . . 0.0 110.022 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.64 37.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.82 -63.35 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.219 -1.165 . . . . 0.0 110.192 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -54.44 -23.75 17.27 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 0.0 110.096 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.293 -0.879 . . . . 0.0 110.144 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.279 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.7 ttmm -70.9 -51.53 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -1.152 . . . . 0.0 109.639 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 9' ' ' ILE . 17.8 mm -66.7 -26.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.496 -0.753 . . . . 0.0 109.655 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.579 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.0 t-105 -74.93 -27.17 60.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 109.996 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.488 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.7 tp10 -54.0 -40.37 66.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.915 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.02 -25.9 56.76 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 5' ' ' ILE . 20.1 mt -74.21 -52.34 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.298 -1.119 . . . . 0.0 110.127 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 6.5 pttp -61.6 -17.33 54.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.159 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 110.216 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.363 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.74 76.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.401 -1.058 . . . . 0.0 109.548 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -77.28 -28.76 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 109.818 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.415 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 41.9 t-105 -80.17 -26.64 39.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.48 -30.62 71.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 -30.8 26.91 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -62.81 -60.1 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.241 -1.152 . . . . 0.0 110.124 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 11' ' ' SER . 2.8 ptpt -59.99 -25.4 65.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.904 . . . . 0.0 110.05 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 32.1 t . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.085 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -63.57 -32.76 74.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -1.135 . . . . 0.0 109.502 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -74.13 -36.09 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.458 -0.776 . . . . 0.0 109.838 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -77.07 -28.58 54.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.73 -27.86 69.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.283 -0.885 . . . . 0.0 109.889 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.37 -31.93 32.62 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.4 mt -69.58 -53.19 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.77 -26.33 63.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.292 -0.88 . . . . 0.0 110.059 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.449 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.307 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.14 77.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.367 -1.078 . . . . 0.0 109.386 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mm -77.33 -30.49 17.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.577 -0.702 . . . . 0.0 109.688 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -78.51 -26.91 46.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.359 -0.838 . . . . 0.0 109.85 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 11' ' ' SER . 7.0 mm-40 -63.58 -30.79 71.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 0.0 109.892 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.42 -28.98 41.75 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.9 mt -67.63 -59.74 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.379 -1.071 . . . . 0.0 109.939 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.06 -24.23 66.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 110.091 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 2.0 t . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.318 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -72.67 -50.08 27.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.285 -1.127 . . . . 0.0 109.67 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 9' ' ' ILE . 20.1 mm -68.6 -24.67 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.4 t-105 -77.54 -26.74 51.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -41.24 64.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.254 -0.904 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.39 -28.78 42.67 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 6' ' ' TRP . 9.8 mt -65.47 -54.31 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -1.096 . . . . 0.0 110.123 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -62.04 -24.66 67.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.219 -0.926 . . . . 0.0 110.172 179.913 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -71.31 -50.8 28.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.363 -1.08 . . . . 0.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 9' ' ' ILE . 29.6 mm -63.31 -27.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.671 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.466 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 29.4 t-105 -69.96 -32.62 70.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.356 -0.84 . . . . 0.0 110.011 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.96 -30.43 67.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.26 -28.92 52.04 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.1 mt -77.82 -51.0 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -1.137 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -56.74 -24.38 49.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.231 -0.918 . . . . 0.0 110.168 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 26.3 t . . . . . 0 N--CA 1.491 1.603 0 O-C-N 121.257 -0.902 . . . . 0.0 110.233 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -41.3 78.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.32 -1.106 . . . . 0.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.57 -28.54 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 109.741 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.51 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 33.0 t-105 -74.27 -25.14 59.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.381 -0.824 . . . . 0.0 109.852 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.93 -31.7 71.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 109.882 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.87 -29.24 35.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.2 mt -70.85 -63.12 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -1.15 . . . . 0.0 110.101 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -53.39 -26.36 19.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.232 -0.917 . . . . 0.0 110.099 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 110.12 179.911 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.457 -1.025 . . . . 0.0 109.619 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.3 mm -72.18 -27.7 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.545 -0.722 . . . . 0.0 109.977 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -81.32 -28.38 34.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.992 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -61.61 -31.08 71.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.889 . . . . 0.0 109.912 179.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.06 -30.76 24.88 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.7 mt -59.78 -63.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -1.14 . . . . 0.0 109.968 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -61.18 -21.9 64.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 0.0 110.063 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.511 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.0 t . . . . . 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.896 . . . . 0.0 110.12 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.291 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -39.28 70.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -1.07 . . . . 0.0 109.819 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 mm -74.75 -29.96 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.441 -0.787 . . . . 0.0 109.72 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.458 ' CZ3' ' CG2' ' A' ' 9' ' ' ILE . 22.7 t-105 -80.75 -30.05 36.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.424 -0.798 . . . . 0.0 110.01 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -58.57 -39.7 81.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.34 53.9 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 5' ' ' ILE . 6.8 mt -59.43 -63.47 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -1.09 . . . . 0.0 110.093 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 11' ' ' SER . 12.2 ptmm? -50.73 -27.99 8.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.286 -0.884 . . . . 0.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 110.024 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -48.56 67.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.253 -1.145 . . . . 0.0 109.241 179.51 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 9' ' ' ILE . 16.0 mm -70.44 -25.0 26.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.538 -0.727 . . . . 0.0 109.473 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TRP . . . . . 0.587 ' HA ' HD12 ' A' ' 9' ' ' ILE . 44.6 t-105 -78.06 -27.03 48.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.802 . . . . 0.0 110.02 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -41.38 74.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 110.015 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.03 -28.63 56.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 6' ' ' TRP . 25.3 mt -62.15 -57.84 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -1.083 . . . . 0.0 110.138 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 ptmm? -59.79 -22.85 62.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 0.0 110.156 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.5 t . . . . . 0 N--CA 1.492 1.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.166 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 26.0 mm . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.236 0.541 . . . . 0.0 110.176 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -83.84 -4.63 58.82 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.242 -0.911 . . . . 0.0 110.225 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -169.59 84.18 0.09 OUTLIER Glycine 0 N--CA 1.49 2.254 0 N-CA-C 109.604 -1.398 . . . . 0.0 109.604 -179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.67 -51.13 37.41 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.228 -1.16 . . . . 0.0 109.618 179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.467 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.8 mm -67.35 -22.75 29.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.543 0 O-C-N 121.454 -0.779 . . . . 0.0 109.491 179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 38.2 t-105 -75.35 -30.05 60.13 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.432 -0.792 . . . . 0.0 109.994 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -53.75 -38.94 64.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.283 -0.886 . . . . 0.0 110.081 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.4 -34.23 36.84 Favored Glycine 0 N--CA 1.49 2.259 0 N-CA-C 109.527 -1.429 . . . . 0.0 109.527 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 5' ' ' ILE . 17.0 mt -61.48 -55.19 26.08 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.324 -1.104 . . . . 0.0 110.134 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.18 -22.38 51.3 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.234 -0.916 . . . . 0.0 110.107 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.475 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 35.6 t -79.68 -29.27 40.78 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.229 -0.919 . . . . 0.0 110.265 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.21 -15.38 61.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.246 -0.909 . . . . 0.0 110.247 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -154.56 -57.43 0.11 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.243 -0.91 . . . . 0.0 110.198 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.338 0 O-C-N 119.834 -1.791 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.6 tp . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.298 0.57 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.021 HD13 ' O ' ' A' ' 2' ' ' LEU . 3.4 tm? -77.93 -22.14 50.04 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.276 -0.89 . . . . 0.0 110.212 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -101.13 63.57 0.54 Allowed Glycine 0 N--CA 1.491 2.323 0 N-CA-C 109.685 -1.366 . . . . 0.0 109.685 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.1 tttp -64.7 -44.28 90.79 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.336 -1.096 . . . . 0.0 109.573 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.405 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.9 mm -69.17 -27.74 36.19 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 O-C-N 121.433 -0.792 . . . . 0.0 109.559 179.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 34.1 t-105 -73.04 -24.6 60.73 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.456 -0.777 . . . . 0.0 109.815 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.4 ' O ' ' CB ' ' A' ' 11' ' ' SER . 0.4 OUTLIER -64.77 -28.37 69.53 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.265 -0.897 . . . . 0.0 110.136 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.15 -30.64 27.78 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 5' ' ' ILE . 50.5 mt -68.14 -73.03 0.1 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.299 -1.118 . . . . 0.0 110.128 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' C ' ' CD ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -51.48 -20.59 1.93 Allowed 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.259 -0.9 . . . . 0.0 110.18 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' A' ' 7' ' ' GLU . 9.9 t -78.6 -24.71 45.26 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.274 -0.891 . . . . 0.0 110.207 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.448 ' O ' HD23 ' A' ' 12' ' ' LEU . 0.5 OUTLIER -98.06 -2.03 41.13 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.173 -0.954 . . . . 0.0 110.229 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -118.51 43.02 2.6 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.188 -0.945 . . . . 0.0 110.226 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.324 0 O-C-N 119.904 -1.747 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 1.1 tp . . . . . 0 N--CA 1.492 1.629 0 CA-C-O 121.25 0.548 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 2' ' ' LEU . 12.4 tp -75.68 0.65 16.93 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.262 -0.899 . . . . 0.0 110.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -107.94 66.96 0.23 Allowed Glycine 0 N--CA 1.489 2.218 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 9.5 mttp -63.49 -44.7 93.61 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.317 -1.108 . . . . 0.0 109.771 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.447 ' O ' HG13 ' A' ' 9' ' ' ILE . 7.0 mm -67.19 -28.62 43.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.53 -0.731 . . . . 0.0 109.894 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.455 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 33.5 t-105 -75.61 -27.86 58.65 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.102 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.31 -33.96 66.07 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.32 -0.862 . . . . 0.0 110.02 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.48 -29.33 30.33 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.447 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.5 mt -71.51 -42.3 72.5 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.597 0 O-C-N 121.25 -1.147 . . . . 0.0 110.174 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.459 ' HG3' ' N ' ' A' ' 11' ' ' SER . 6.2 ptmt -70.07 -24.88 63.31 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.273 -0.892 . . . . 0.0 110.196 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.459 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -81.43 -23.03 37.78 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.218 -0.926 . . . . 0.0 110.182 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -87.18 -24.06 24.59 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.243 -0.911 . . . . 0.0 110.259 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -48.48 -48.36 37.93 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.226 -0.922 . . . . 0.0 110.235 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.85 -1.781 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.55 HG22 ' N ' ' A' ' 2' ' ' LEU . 44.7 mt . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 121.324 0.583 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.55 ' N ' HG22 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -50.05 -23.11 1.89 Allowed 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.172 -0.955 . . . . 0.0 110.168 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.414 ' O ' ' HB2' ' A' ' 7' ' ' GLU . . . -176.35 74.41 0.08 OUTLIER Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.526 ' HG2' HD12 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -69.67 -38.67 77.14 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.364 -1.08 . . . . 0.0 109.974 179.785 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.461 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.8 mm -73.27 -30.07 29.82 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 O-C-N 121.356 -0.84 . . . . 0.0 109.905 179.615 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.431 ' CE2' ' HD2' ' A' ' 10' ' ' LYS . 22.3 t-105 -80.59 -33.54 35.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.328 -0.857 . . . . 0.0 110.142 179.864 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.48 ' O ' ' HB3' ' A' ' 11' ' ' SER . 0.0 OUTLIER -59.99 -27.62 67.0 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.283 -0.886 . . . . 0.0 110.02 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.5 -34.2 20.34 Favored Glycine 0 N--CA 1.49 2.236 0 N-CA-C 109.626 -1.39 . . . . 0.0 109.626 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 5' ' ' ILE . 9.3 mt -62.75 -68.99 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.258 -1.142 . . . . 0.0 110.155 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.431 ' HD2' ' CE2' ' A' ' 6' ' ' TRP . 18.4 ptmt -55.06 -25.99 34.56 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.311 -0.868 . . . . 0.0 110.152 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.48 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 3.6 t -78.44 -29.11 46.81 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.184 -0.947 . . . . 0.0 110.261 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mt -66.11 -26.39 67.44 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.223 -0.923 . . . . 0.0 110.186 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.8 157.58 25.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.275 -0.891 . . . . 0.0 110.218 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.329 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.72 HG21 ' HB2' ' A' ' 4' ' ' LYS . 2.0 tt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.217 0.532 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 2' ' ' LEU . 2.1 tp -85.03 -11.54 55.16 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.213 -0.929 . . . . 0.0 110.21 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 168.71 83.57 0.05 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.611 -1.396 . . . . 0.0 109.611 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.72 ' HB2' HG21 ' A' ' 1' ' ' ILE . 5.3 tmtm? -71.21 -44.25 65.76 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.265 -1.139 . . . . 0.0 109.646 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.458 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.6 mm -71.95 -28.29 29.68 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.521 0 O-C-N 121.523 -0.736 . . . . 0.0 109.668 179.462 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 46.6 t-105 -76.64 -26.52 54.98 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.377 -0.827 . . . . 0.0 110.017 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 10' ' ' LYS . 3.9 tt0 -63.26 -32.34 73.72 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.24 -0.912 . . . . 0.0 109.995 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.442 ' O ' ' CD1' ' A' ' 12' ' ' LEU . . . -79.87 -30.39 43.44 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.428 -1.469 . . . . 0.0 109.428 179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.0 mt -67.66 -53.32 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.259 -1.142 . . . . 0.0 110.064 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 0.0 OUTLIER -58.52 -25.56 62.55 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.29 -0.881 . . . . 0.0 110.163 179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.5 -24.81 42.04 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.347 -0.846 . . . . 0.0 110.225 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' CD1' ' O ' ' A' ' 8' ' ' GLY . 1.4 mp -97.43 -28.82 13.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.258 -0.901 . . . . 0.0 110.199 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.427 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 0.1 OUTLIER 176.93 97.26 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.287 -0.883 . . . . 0.0 110.176 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.394 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 1' ' ' ILE . 10.8 pt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.246 0.546 . . . . 0.0 110.175 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -69.82 -12.32 61.54 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.261 -0.899 . . . . 0.0 110.227 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -90.09 50.34 3.37 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -64.69 -31.84 73.25 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.334 -1.098 . . . . 0.0 109.431 179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.445 ' O ' HG13 ' A' ' 9' ' ' ILE . 12.7 mm -78.28 -25.03 13.84 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 O-C-N 121.464 -0.773 . . . . 0.0 109.659 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 32.0 t-105 -78.08 -26.32 48.1 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.351 -0.843 . . . . 0.0 109.922 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -30.04 71.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.339 -0.85 . . . . 0.0 110.139 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -83.8 -31.44 26.65 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.571 -1.411 . . . . 0.0 109.571 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 5' ' ' ILE . 40.7 mt -63.94 -65.15 0.57 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.22 -1.165 . . . . 0.0 110.086 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.04 -22.09 25.36 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.241 -0.912 . . . . 0.0 110.121 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.6 t -78.88 -21.24 47.77 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.21 -0.932 . . . . 0.0 110.283 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.16 -66.3 0.93 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.178 -0.951 . . . . 0.0 110.25 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 178.72 96.26 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.314 -0.866 . . . . 0.0 110.205 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.283 0 O-C-N 119.814 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 3.7 tp . . . . . 0 N--CA 1.491 1.592 0 CA-C-O 121.267 0.556 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.1 mt -61.47 -24.13 66.36 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.251 -0.906 . . . . 0.0 110.253 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 121.13 86.79 0.91 Allowed Glycine 0 N--CA 1.491 2.317 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -69.03 -52.25 30.67 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.201 -1.176 . . . . 0.0 109.495 179.669 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.45 ' O ' HG13 ' A' ' 9' ' ' ILE . 11.0 mm -67.2 -28.27 42.02 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.545 0 O-C-N 121.501 -0.75 . . . . 0.0 109.467 179.309 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 52.9 t-105 -74.84 -25.27 58.88 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.318 -0.864 . . . . 0.0 109.894 179.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -54.95 -42.22 72.06 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.315 -0.866 . . . . 0.0 110.017 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.0 -29.07 55.22 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.346 -1.502 . . . . 0.0 109.346 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 5' ' ' ILE . 26.8 mt -68.7 -50.03 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.309 -1.113 . . . . 0.0 110.146 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.435 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -64.81 -23.72 67.32 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.245 -0.909 . . . . 0.0 110.211 179.893 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.435 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 36.1 t -81.38 -20.55 40.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.315 -0.865 . . . . 0.0 110.132 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.6 mt -79.73 -25.85 40.97 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.284 -0.885 . . . . 0.0 110.194 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.17 100.7 2.12 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.295 -0.878 . . . . 0.0 110.143 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.36 0 O-C-N 119.858 -1.776 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 1' ' ' ILE . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 121.24 0.543 . . . . 0.0 110.234 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -85.02 -20.48 30.42 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.25 -0.906 . . . . 0.0 110.245 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -81.65 54.85 4.84 Favored Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.615 -1.394 . . . . 0.0 109.615 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -63.34 -36.02 82.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.363 -1.08 . . . . 0.0 109.562 179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.463 ' O ' HG13 ' A' ' 9' ' ' ILE . 9.7 mm -74.29 -29.62 24.93 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.442 0 O-C-N 121.541 -0.724 . . . . 0.0 109.727 179.522 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.418 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 36.0 t-105 -75.06 -27.89 60.14 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.39 -0.819 . . . . 0.0 109.977 179.799 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.13 -27.11 68.5 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.316 -0.865 . . . . 0.0 110.018 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.66 -33.63 27.19 Favored Glycine 0 N--CA 1.488 2.159 0 N-CA-C 109.55 -1.42 . . . . 0.0 109.55 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 5' ' ' ILE . 31.5 mt -67.6 -56.93 11.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.24 -1.153 . . . . 0.0 110.162 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HG2' ' O ' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -56.01 -24.99 42.42 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.251 -0.906 . . . . 0.0 110.199 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 2.1 t -72.75 -24.26 60.94 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.257 -0.902 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' O ' ' HB2' ' A' ' 13' ' ' PHE . 0.1 OUTLIER -87.5 -31.33 20.02 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.186 -0.946 . . . . 0.0 110.277 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.401 ' HB2' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 175.6 117.76 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.236 -0.915 . . . . 0.0 110.144 179.857 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.871 -1.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.463 HG12 ' HG2' ' A' ' 4' ' ' LYS . 1.4 pt . . . . . 0 N--CA 1.492 1.648 0 CA-C-O 121.197 0.523 . . . . 0.0 110.153 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 18.4 tp -45.03 -28.4 0.69 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.203 -0.935 . . . . 0.0 110.521 -179.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 174.24 82.84 0.05 OUTLIER Glycine 0 N--CA 1.491 2.349 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.463 ' HG2' HG12 ' A' ' 1' ' ' ILE . 0.3 OUTLIER -75.31 -37.0 61.02 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.294 -1.121 . . . . 0.0 109.612 179.593 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.443 ' O ' HG13 ' A' ' 9' ' ' ILE . 34.3 mm -75.68 -28.29 19.45 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.511 -0.743 . . . . 0.0 109.725 179.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -79.22 -21.52 46.15 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.383 -0.823 . . . . 0.0 110.08 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.471 ' O ' ' HB3' ' A' ' 11' ' ' SER . 1.3 mt-10 -67.56 -30.68 70.38 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.231 -0.918 . . . . 0.0 110.184 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -84.79 -33.49 18.51 Favored Glycine 0 N--CA 1.491 2.32 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.443 HG13 ' O ' ' A' ' 5' ' ' ILE . 13.5 mt -57.36 -68.02 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -1.131 . . . . 0.0 109.978 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.2 OUTLIER -57.74 -21.84 43.34 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.281 -0.887 . . . . 0.0 110.204 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.471 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 1.2 t -85.17 -17.36 37.43 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.21 -0.931 . . . . 0.0 110.276 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.43 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 1.1 mp -102.94 -33.34 9.35 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.274 -0.891 . . . . 0.0 110.415 -179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -86.24 -46.49 10.31 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.272 -0.893 . . . . 0.0 110.208 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.847 -1.783 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.875 HD11 ' HB2' ' A' ' 4' ' ' LYS . 8.6 pt . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.19 0.519 . . . . 0.0 110.217 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.75 -25.12 64.6 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.261 -0.9 . . . . 0.0 110.308 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 140.55 84.14 0.09 OUTLIER Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.669 -1.373 . . . . 0.0 109.669 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.875 ' HB2' HD11 ' A' ' 1' ' ' ILE . 0.1 OUTLIER -71.16 -42.07 69.59 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.234 -1.156 . . . . 0.0 109.573 179.648 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.1 mm -72.84 -25.88 22.76 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.528 0 O-C-N 121.508 -0.745 . . . . 0.0 109.455 179.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.575 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 36.6 t-105 -76.09 -26.3 56.33 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.381 -0.825 . . . . 0.0 109.936 179.758 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -58.64 -34.7 71.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.203 -0.935 . . . . 0.0 110.022 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.1 -29.64 37.06 Favored Glycine 0 N--CA 1.491 2.342 0 N-CA-C 109.466 -1.454 . . . . 0.0 109.466 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.7 mt -67.82 -63.35 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 121.219 -1.165 . . . . 0.0 110.192 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.575 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -54.44 -23.75 17.27 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.287 -0.883 . . . . 0.0 110.096 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.35 -26.33 60.98 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.293 -0.879 . . . . 0.0 110.144 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.1 mt -80.96 -28.51 35.61 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.284 -0.885 . . . . 0.0 110.283 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -103.97 -13.16 16.43 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.287 -0.883 . . . . 0.0 110.244 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 119.825 -1.797 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.655 HD11 ' HG3' ' A' ' 4' ' ' LYS . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.303 0.573 . . . . 0.0 110.171 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 6.9 tt -65.44 -17.41 64.52 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 110.194 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -161.53 83.7 0.12 Allowed Glycine 0 N--CA 1.49 2.279 0 N-CA-C 109.595 -1.402 . . . . 0.0 109.595 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.655 ' HG3' HD11 ' A' ' 1' ' ' ILE . 7.7 ttmm -70.9 -51.53 25.62 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.242 -1.152 . . . . 0.0 109.639 179.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.455 ' O ' HG13 ' A' ' 9' ' ' ILE . 17.8 mm -66.7 -26.98 38.55 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 O-C-N 121.496 -0.753 . . . . 0.0 109.655 179.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.579 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.0 t-105 -74.93 -27.17 60.09 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.44 -0.788 . . . . 0.0 109.996 179.783 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.488 ' HA ' ' HE3' ' A' ' 10' ' ' LYS . 2.7 tp10 -54.0 -40.37 66.9 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.353 -0.842 . . . . 0.0 109.915 179.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.02 -25.9 56.76 Favored Glycine 0 N--CA 1.489 2.17 0 N-CA-C 109.416 -1.474 . . . . 0.0 109.416 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 5' ' ' ILE . 20.1 mt -74.21 -52.34 20.53 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.61 0 O-C-N 121.298 -1.119 . . . . 0.0 110.127 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.579 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 6.5 pttp -61.6 -17.33 54.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.283 -0.885 . . . . 0.0 110.159 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.456 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.6 OUTLIER -83.38 -21.56 33.03 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.299 -0.876 . . . . 0.0 110.216 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 13' ' ' PHE . 0.3 OUTLIER -84.28 -27.32 27.95 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.185 -0.947 . . . . 0.0 110.176 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER 42.57 52.88 4.83 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.344 -0.848 . . . . 0.0 110.206 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.813 -1.804 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.666 ' O ' HG23 ' A' ' 1' ' ' ILE . 8.3 tp . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.19 0.519 . . . . 0.0 110.207 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 1' ' ' ILE . 21.0 tp -44.23 -26.22 0.3 Allowed 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.243 -0.911 . . . . 0.0 110.201 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 116.15 56.04 0.33 Allowed Glycine 0 N--CA 1.491 2.363 0 N-CA-C 109.599 -1.4 . . . . 0.0 109.599 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.86 -33.74 76.73 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.401 -1.058 . . . . 0.0 109.548 179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.462 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -77.28 -28.76 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.429 0 O-C-N 121.453 -0.78 . . . . 0.0 109.818 179.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.415 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 41.9 t-105 -80.17 -26.64 39.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.367 -0.833 . . . . 0.0 110.11 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -62.48 -30.62 71.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.155 -0.966 . . . . 0.0 109.935 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -84.3 -30.8 26.91 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.462 HG13 ' O ' ' A' ' 5' ' ' ILE . 36.7 mt -62.81 -60.1 3.3 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.241 -1.152 . . . . 0.0 110.124 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 11' ' ' SER . 2.8 ptpt -59.99 -25.4 65.22 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.254 -0.904 . . . . 0.0 110.05 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.51 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 32.1 t -82.22 -14.59 55.3 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.302 -0.874 . . . . 0.0 110.085 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 13' ' ' PHE . 0.2 OUTLIER -89.12 -35.1 16.47 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.32 -0.863 . . . . 0.0 110.228 -179.896 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.465 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER 53.67 105.23 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.301 -0.874 . . . . 0.0 110.264 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.352 0 O-C-N 119.838 -1.788 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.508 ' CG1' ' HB2' ' A' ' 4' ' ' LYS . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 121.246 0.546 . . . . 0.0 110.221 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 2.0 tp -47.43 -87.83 0.0 OUTLIER 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.228 -0.92 . . . . 0.0 110.083 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.27 58.46 0.51 Allowed Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.645 -1.382 . . . . 0.0 109.645 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.508 ' HB2' ' CG1' ' A' ' 1' ' ' ILE . 2.0 ttmm -63.57 -32.76 74.32 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.27 -1.135 . . . . 0.0 109.502 179.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.476 ' O ' HG13 ' A' ' 9' ' ' ILE . 10.3 mm -74.13 -36.09 42.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.458 -0.776 . . . . 0.0 109.838 179.518 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 29.1 t-105 -77.07 -28.58 54.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.389 -0.82 . . . . 0.0 109.784 179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -64.73 -27.86 69.19 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.283 -0.885 . . . . 0.0 109.889 179.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.37 -31.93 32.62 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 109.342 -1.503 . . . . 0.0 109.342 179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.476 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.4 mt -69.58 -53.19 25.94 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.299 -1.118 . . . . 0.0 110.022 179.789 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.449 ' HD3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -58.77 -26.33 63.93 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.292 -0.88 . . . . 0.0 110.059 179.783 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.449 ' N ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -83.25 -26.45 30.71 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.289 -0.882 . . . . 0.0 110.072 179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -90.81 -18.13 25.41 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.329 -0.857 . . . . 0.0 110.065 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -111.51 123.86 51.1 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.341 -0.849 . . . . 0.0 110.207 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 119.918 -1.739 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.667 ' O ' HG23 ' A' ' 1' ' ' ILE . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.211 0.529 . . . . 0.0 110.18 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.56 -29.26 50.56 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.286 -0.884 . . . . 0.0 110.149 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -179.69 51.36 0.09 OUTLIER Glycine 0 N--CA 1.491 2.307 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.57 -34.14 77.16 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.367 -1.078 . . . . 0.0 109.386 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.8 mm -77.33 -30.49 17.4 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.436 0 O-C-N 121.577 -0.702 . . . . 0.0 109.688 179.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 54.3 t-105 -78.51 -26.91 46.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.359 -0.838 . . . . 0.0 109.85 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.414 ' O ' ' HB3' ' A' ' 11' ' ' SER . 7.0 mm-40 -63.58 -30.79 71.86 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.357 -0.839 . . . . 0.0 109.892 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.806 ' O ' HD12 ' A' ' 12' ' ' LEU . . . -81.42 -28.98 41.75 Favored Glycine 0 N--CA 1.491 2.311 0 N-CA-C 109.255 -1.538 . . . . 0.0 109.255 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.9 mt -67.63 -59.74 3.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 121.379 -1.071 . . . . 0.0 109.939 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.418 ' HD3' ' C ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -62.06 -24.23 66.97 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.221 -0.924 . . . . 0.0 110.091 179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.414 ' HB3' ' O ' ' A' ' 7' ' ' GLU . 2.0 t -80.6 -24.47 39.1 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.268 -0.895 . . . . 0.0 110.165 179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.806 HD12 ' O ' ' A' ' 8' ' ' GLY . 0.5 OUTLIER -76.8 -27.37 55.2 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.235 -0.915 . . . . 0.0 110.178 179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -86.7 -41.84 13.86 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.203 -0.936 . . . . 0.0 110.134 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.348 0 O-C-N 119.833 -1.792 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.561 HG22 ' H ' ' A' ' 2' ' ' LEU . 18.7 mt . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.202 0.525 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.561 ' H ' HG22 ' A' ' 1' ' ' ILE . 8.1 tt -46.78 -23.63 0.45 Allowed 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.283 -0.885 . . . . 0.0 110.213 -179.894 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -168.77 85.25 0.09 OUTLIER Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.665 -1.374 . . . . 0.0 109.665 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.3 tttm -72.67 -50.08 27.37 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.285 -1.127 . . . . 0.0 109.67 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 9' ' ' ILE . 20.1 mm -68.6 -24.67 29.42 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.529 -0.732 . . . . 0.0 109.603 179.446 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.469 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 46.4 t-105 -77.54 -26.74 51.28 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.479 -0.763 . . . . 0.0 110.062 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.11 -41.24 64.8 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.254 -0.904 . . . . 0.0 110.026 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -81.39 -28.78 42.67 Favored Glycine 0 N--CA 1.489 2.21 0 N-CA-C 109.445 -1.462 . . . . 0.0 109.445 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.436 ' HB ' ' HA ' ' A' ' 6' ' ' TRP . 9.8 mt -65.47 -54.31 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.336 -1.096 . . . . 0.0 110.123 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HB3' ' CE2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -62.04 -24.66 67.21 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.207 -0.933 . . . . 0.0 110.244 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.2 t -84.67 -9.83 57.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.219 -0.926 . . . . 0.0 110.172 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.4 tt -87.09 -31.17 20.61 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.263 -0.898 . . . . 0.0 110.227 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -137.07 -74.25 0.42 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.303 -0.873 . . . . 0.0 110.148 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.863 -1.773 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 121.252 0.549 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -44.23 -28.54 0.53 Allowed 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.24 -0.912 . . . . 0.0 110.314 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 161.87 81.01 0.04 OUTLIER Glycine 0 N--CA 1.491 2.326 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.0 tptt -71.31 -50.8 28.76 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.363 -1.08 . . . . 0.0 109.358 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.47 ' O ' HG13 ' A' ' 9' ' ' ILE . 29.6 mm -63.31 -27.06 42.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.538 0 O-C-N 121.583 -0.698 . . . . 0.0 109.671 179.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.466 ' O ' ' HG2' ' A' ' 10' ' ' LYS . 29.4 t-105 -69.96 -32.62 70.95 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.356 -0.84 . . . . 0.0 110.011 179.764 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -58.96 -30.43 67.9 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.357 -0.839 . . . . 0.0 110.125 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -79.26 -28.92 52.04 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.658 -1.377 . . . . 0.0 109.658 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 5' ' ' ILE . 12.1 mt -77.82 -51.0 18.81 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.267 -1.137 . . . . 0.0 110.257 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 11' ' ' SER . 0.0 OUTLIER -56.74 -24.38 49.42 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.231 -0.918 . . . . 0.0 110.168 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.513 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 26.3 t -83.49 -18.75 37.44 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.257 -0.902 . . . . 0.0 110.233 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.51 -41.01 7.56 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.255 -0.903 . . . . 0.0 110.213 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -136.88 133.81 36.18 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.328 -0.857 . . . . 0.0 110.138 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.363 0 O-C-N 119.958 -1.714 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . . . . . . . . . 19.8 tt . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.279 0.562 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -68.51 -6.55 25.78 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.313 -0.867 . . . . 0.0 110.196 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -122.22 74.26 0.37 Allowed Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.584 -1.406 . . . . 0.0 109.584 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.8 -41.3 78.87 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.32 -1.106 . . . . 0.0 109.894 179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.7 mm -71.57 -28.54 31.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.387 -0.821 . . . . 0.0 109.741 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.51 ' CZ2' ' HB3' ' A' ' 10' ' ' LYS . 33.0 t-105 -74.27 -25.14 59.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.381 -0.824 . . . . 0.0 109.852 179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -60.93 -31.7 71.22 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.326 -0.859 . . . . 0.0 109.882 179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.87 -29.24 35.38 Favored Glycine 0 N--CA 1.49 2.246 0 N-CA-C 109.304 -1.518 . . . . 0.0 109.304 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 49.2 mt -70.85 -63.12 1.04 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.245 -1.15 . . . . 0.0 110.101 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.51 ' HB3' ' CZ2' ' A' ' 6' ' ' TRP . 0.0 OUTLIER -53.39 -26.36 19.26 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.232 -0.917 . . . . 0.0 110.099 179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.0 m -70.05 -30.15 67.35 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.163 -0.961 . . . . 0.0 110.12 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -71.99 -25.48 61.86 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.328 -0.857 . . . . 0.0 110.157 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 55.73 -158.39 0.22 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.308 -0.87 . . . . 0.0 110.221 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.313 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.768 HD12 ' OE2' ' A' ' 7' ' ' GLU . 4.1 pt . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.259 0.552 . . . . 0.0 110.213 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -67.37 -7.66 26.65 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.232 -0.917 . . . . 0.0 110.156 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -75.54 55.66 2.91 Favored Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.7 mttt -61.02 -40.03 91.99 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.457 -1.025 . . . . 0.0 109.619 179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.459 ' O ' HG13 ' A' ' 9' ' ' ILE . 8.3 mm -72.18 -27.7 27.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 O-C-N 121.545 -0.722 . . . . 0.0 109.977 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . . . . . . . . . 36.7 t-105 -81.32 -28.38 34.58 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.992 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.768 ' OE2' HD12 ' A' ' 1' ' ' ILE . 4.3 mt-10 -61.61 -31.08 71.13 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.277 -0.889 . . . . 0.0 109.912 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.476 ' O ' ' HB2' ' A' ' 12' ' ' LEU . . . -85.06 -30.76 24.88 Favored Glycine 0 N--CA 1.49 2.237 0 N-CA-C 109.364 -1.495 . . . . 0.0 109.364 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 5' ' ' ILE . 14.7 mt -59.78 -63.02 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -1.14 . . . . 0.0 109.968 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.511 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.0 OUTLIER -61.18 -21.9 64.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.894 . . . . 0.0 110.063 179.889 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.511 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.0 t -84.96 -27.22 26.65 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.266 -0.896 . . . . 0.0 110.12 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.476 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 0.6 OUTLIER -78.31 -4.33 47.45 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.278 -0.889 . . . . 0.0 110.225 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -53.43 132.79 40.28 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.21 -0.931 . . . . 0.0 110.253 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 119.866 -1.771 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.432 ' O ' HG23 ' A' ' 1' ' ' ILE . 4.5 tp . . . . . 0 N--CA 1.492 1.645 0 CA-C-O 121.298 0.57 . . . . 0.0 110.172 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.4 mp -62.93 -89.06 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.216 -0.928 . . . . 0.0 110.111 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -145.6 79.27 0.24 Allowed Glycine 0 N--CA 1.49 2.291 0 N-CA-C 109.514 -1.434 . . . . 0.0 109.514 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -39.28 70.73 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.382 -1.07 . . . . 0.0 109.819 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.468 ' O ' HG13 ' A' ' 9' ' ' ILE . 15.1 mm -74.75 -29.96 23.81 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 121.441 -0.787 . . . . 0.0 109.72 179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.458 ' CZ3' ' CG2' ' A' ' 9' ' ' ILE . 22.7 t-105 -80.75 -30.05 36.18 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.424 -0.798 . . . . 0.0 110.01 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -58.57 -39.7 81.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.287 -0.883 . . . . 0.0 110.109 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -75.28 -33.34 53.9 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.44 -1.464 . . . . 0.0 109.44 179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 5' ' ' ILE . 6.8 mt -59.43 -63.47 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.347 -1.09 . . . . 0.0 110.093 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.439 ' HG3' ' N ' ' A' ' 11' ' ' SER . 12.2 ptmm? -50.73 -27.99 8.24 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.286 -0.884 . . . . 0.0 110.208 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.439 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 0.4 OUTLIER -75.75 -25.75 56.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.25 -0.906 . . . . 0.0 110.024 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.79 -75.03 0.63 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.388 -0.82 . . . . 0.0 110.055 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.32 -154.86 0.08 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.288 -0.882 . . . . 0.0 110.181 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.855 -1.778 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ILE . . . . . 0.522 HD11 ' HG2' ' A' ' 4' ' ' LYS . 5.5 tt . . . . . 0 N--CA 1.492 1.666 0 CA-C-O 121.179 0.514 . . . . 0.0 110.21 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.51 ' HA ' HD13 ' A' ' 2' ' ' LEU . 2.4 mm? -85.13 -25.45 27.49 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.345 -0.847 . . . . 0.0 110.36 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 149.74 90.36 0.08 OUTLIER Glycine 0 N--CA 1.49 2.277 0 N-CA-C 109.704 -1.358 . . . . 0.0 109.704 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.522 ' HG2' HD11 ' A' ' 1' ' ' ILE . 0.0 OUTLIER -67.36 -48.56 67.12 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.253 -1.145 . . . . 0.0 109.241 179.51 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.404 ' O ' HG13 ' A' ' 9' ' ' ILE . 16.0 mm -70.44 -25.0 26.13 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 O-C-N 121.538 -0.727 . . . . 0.0 109.473 179.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TRP . . . . . 0.587 ' HA ' HD12 ' A' ' 9' ' ' ILE . 44.6 t-105 -78.06 -27.03 48.58 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.416 -0.802 . . . . 0.0 110.02 179.774 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.97 -41.38 74.67 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.26 -0.9 . . . . 0.0 110.015 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -78.03 -28.63 56.03 Favored Glycine 0 N--CA 1.49 2.273 0 N-CA-C 109.327 -1.509 . . . . 0.0 109.327 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.587 HD12 ' HA ' ' A' ' 6' ' ' TRP . 25.3 mt -62.15 -57.84 10.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.358 -1.083 . . . . 0.0 110.138 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 11' ' ' SER . 1.1 ptmm? -59.79 -22.85 62.72 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.233 -0.917 . . . . 0.0 110.156 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.48 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.5 t -84.35 -23.31 30.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.308 -0.87 . . . . 0.0 110.166 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.603 ' O ' HD23 ' A' ' 12' ' ' LEU . 10.4 tt -83.86 -23.39 31.32 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.275 -0.891 . . . . 0.0 110.181 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -152.83 65.53 0.79 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.237 -0.914 . . . . 0.0 110.174 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.386 0 O-C-N 119.782 -1.824 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_