data_2k6r_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 2k6r _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 ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.498 1.959 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.06 126.23 51.96 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.29 -21.12 66.26 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.9 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -57.68 -45.69 85.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.308 -0.87 . . . . 0.0 109.367 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.02 -34.62 73.52 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.219 -0.925 . . . . 0.0 109.777 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.6 tp -68.75 -35.04 76.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.152 -0.967 . . . . 0.0 108.455 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -60.77 -37.58 82.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -74.48 -52.46 11.92 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.451 0.643 . . . . 0.0 109.434 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.43 -25.64 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.961 -1.087 . . . . 0.0 108.297 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 23' ' ' ILE . 1.9 mt -65.05 -39.34 85.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -61.35 -27.0 68.2 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -76.24 -47.13 25.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.448 -0.782 . . . . 0.0 109.536 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.495 1.811 0 O-C-N 120.882 -1.136 . . . . 0.0 108.815 179.771 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -106.62 126.87 52.83 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.361 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.22 -21.38 65.09 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -54.38 -46.19 72.99 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.429 -0.794 . . . . 0.0 109.115 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.78 -32.72 73.49 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.499 -0.75 . . . . 0.0 109.737 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.05 -34.4 73.18 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.19 -36.84 80.96 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.07 -52.47 12.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.92 -25.11 66.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.876 -1.14 . . . . 0.0 108.442 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -65.36 -39.34 84.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.57 -26.95 68.85 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.49 -46.79 25.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.23 -0.919 . . . . 0.0 109.582 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.497 1.917 0 O-C-N 120.8 -1.188 . . . . 0.0 108.839 179.748 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -102.69 126.36 49.77 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.92 -20.58 66.52 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.662 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.69 -48.33 81.27 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.04 -1.037 . . . . 0.0 108.45 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.77 -31.95 67.02 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.263 -0.898 . . . . 0.0 108.802 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 tp -74.69 -37.35 62.67 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.41 -39.23 86.65 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -73.47 -52.08 14.91 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.605 0.717 . . . . 0.0 109.407 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.855 -1.153 . . . . 0.0 108.484 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.53 -38.57 81.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.17 -28.44 69.12 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -75.91 -46.87 27.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.317 -0.864 . . . . 0.0 109.064 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.494 1.764 0 O-C-N 120.918 -1.114 . . . . 0.0 109.073 179.808 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.75 127.04 53.05 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.6 -21.28 64.2 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -53.97 -46.24 71.59 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.532 -0.73 . . . . 0.0 109.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.32 -33.23 73.93 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 109.68 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.1 tp -69.11 -34.37 74.97 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.0 -37.19 81.65 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.27 -52.6 11.84 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.534 0.683 . . . . 0.0 109.325 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.57 -25.37 66.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.92 -1.113 . . . . 0.0 108.405 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.12 -39.5 85.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.21 -27.12 68.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -75.18 -47.17 29.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.448 -0.782 . . . . 0.0 109.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 108.842 179.631 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 106.725 -1.584 . . . . 0.0 106.725 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.75 126.24 52.04 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.452 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -67.57 -21.53 65.43 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.739 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 17' ' ' LYS . 3.0 ttmp? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.193 -0.942 . . . . 0.0 109.106 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -69.02 -29.83 68.08 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -70.99 -35.89 72.27 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -59.48 -38.37 80.66 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -74.73 -52.65 10.98 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.445 0.64 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.75 -25.66 65.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.825 -1.172 . . . . 0.0 108.306 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.74 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.41 -27.26 67.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.85 -47.43 21.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.508 -0.745 . . . . 0.0 109.529 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.495 1.802 0 O-C-N 120.912 -1.117 . . . . 0.0 108.951 179.746 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.15 51.89 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.703 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 2.8 mp0 -66.62 -21.37 66.12 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.559 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -57.2 -47.03 82.3 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 109.291 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -68.14 -32.34 72.54 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 121.239 -0.913 . . . . 0.0 109.591 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.53 -36.07 73.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.253 -0.904 . . . . 0.0 108.706 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.65 -37.84 82.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.183 -0.948 . . . . 0.0 108.448 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -74.69 -52.98 10.16 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.602 0.715 . . . . 0.0 109.425 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.14 -25.29 63.74 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.945 -1.097 . . . . 0.0 108.364 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.402 HD12 HG21 ' A' ' 23' ' ' ILE . 2.1 mt -67.22 -38.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -59.92 -29.25 68.25 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -76.73 -46.94 23.44 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.442 -0.786 . . . . 0.0 109.142 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.497 1.913 0 O-C-N 120.856 -1.152 . . . . 0.0 109.058 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 10.5 mpt_? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -105.93 126.82 52.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.06 -24.79 68.07 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.346 -0.941 . . . . 0.0 108.831 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.25 -47.99 79.99 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.892 -1.13 . . . . 0.0 108.635 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -60.22 -31.37 70.11 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.39 -0.819 . . . . 0.0 108.945 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.21 -35.19 63.9 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -37.3 84.5 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.71 -52.23 13.94 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.41 -25.34 67.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.963 -1.086 . . . . 0.0 108.421 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.59 -39.61 86.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.49 -27.17 68.95 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -74.68 -47.31 32.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.33 -0.856 . . . . 0.0 109.372 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 120.991 -1.068 . . . . 0.0 108.662 179.557 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.6 p30 -106.41 126.65 52.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.413 ' CD ' ' N ' ' A' ' 16' ' ' GLU . 4.3 mp0 -63.89 -20.87 66.17 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.084 -1.046 . . . . 0.0 108.289 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -54.66 -48.48 72.29 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.268 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.449 ' CD ' HD22 ' A' ' 15' ' ' ASN . 89.8 mt-10 -68.77 -29.89 68.37 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.356 -0.84 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.61 -35.91 75.71 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.34 -38.32 83.44 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.07 -52.43 12.68 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.576 0.703 . . . . 0.0 109.427 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.15 -25.37 65.47 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.979 -1.076 . . . . 0.0 108.375 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 23' ' ' ILE . 2.1 mt -66.71 -38.18 81.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -60.67 -28.42 68.58 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -76.77 -47.04 22.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.423 -0.798 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.497 1.885 0 O-C-N 121.009 -1.057 . . . . 0.0 108.988 179.736 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -106.87 126.95 52.97 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.168 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.41 -20.94 65.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -55.3 -47.63 75.31 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.426 -0.796 . . . . 0.0 109.173 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CD ' HD22 ' A' ' 15' ' ' ASN . 99.0 mt-10 -66.79 -29.85 69.9 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.621 -0.675 . . . . 0.0 109.761 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.43 -40.2 70.56 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -57.41 -38.13 73.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 108.781 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -74.86 -53.06 9.77 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.747 0.784 . . . . 0.0 109.552 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.05 -25.18 63.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.719 -1.238 . . . . 0.0 108.437 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -67.87 -38.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -56.64 -30.25 63.12 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -77.14 -40.66 44.78 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.565 -0.709 . . . . 0.0 109.433 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.498 1.956 0 O-C-N 120.906 -1.121 . . . . 0.0 110.081 -179.788 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -104.81 126.58 52.03 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.689 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.71 -20.81 66.54 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.841 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -61.48 -48.47 80.95 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.007 -1.058 . . . . 0.0 108.264 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.452 ' CD ' HD22 ' A' ' 15' ' ' ASN . 94.2 mt-10 -58.73 -31.07 67.96 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 121.196 -0.94 . . . . 0.0 108.848 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.38 -38.19 63.23 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.27 83.62 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.79 -52.23 13.8 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.439 0.638 . . . . 0.0 109.657 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.86 -25.29 66.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.836 -1.165 . . . . 0.0 108.462 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.67 -38.99 83.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.13 -27.02 68.08 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -75.66 -47.11 27.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.404 -0.81 . . . . 0.0 109.413 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.494 1.749 0 O-C-N 120.922 -1.111 . . . . 0.0 108.996 179.708 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 10.8 mpt_? . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -107.02 127.38 53.41 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.437 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.34 -23.26 64.11 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.32 -47.85 68.94 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.17 -33.67 76.3 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.34 -0.85 . . . . 0.0 109.464 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.41 -33.73 74.75 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -61.87 -36.37 81.06 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.1 -52.24 13.2 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.481 0.657 . . . . 0.0 109.258 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.4 -25.38 67.16 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.957 -1.089 . . . . 0.0 108.343 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.18 -39.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -62.97 -26.77 68.99 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -73.87 -47.38 38.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.319 -0.863 . . . . 0.0 109.287 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 120.955 -1.09 . . . . 0.0 108.401 179.43 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 14' ' ' ARG . 8.9 ttt-85 . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.1 p30 -106.21 127.06 52.95 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.82 -21.32 64.53 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.225 -0.99 . . . . 0.0 108.384 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -54.07 -47.01 72.13 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.466 -0.771 . . . . 0.0 109.173 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.83 -32.41 72.92 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.512 -0.742 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.96 -34.25 73.16 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.15 -36.75 80.62 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -52.46 12.62 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.95 -25.22 66.66 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.013 -1.054 . . . . 0.0 108.532 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -64.53 -39.91 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.96 -26.99 68.53 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -74.96 -47.19 30.74 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.36 -0.837 . . . . 0.0 109.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 120.993 -1.067 . . . . 0.0 108.925 179.768 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.451 HH11 ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.34 52.12 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 3.0 mp0 -63.74 -21.69 66.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.62 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -55.74 -45.08 78.07 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.301 -0.874 . . . . 0.0 108.881 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.393 -0.817 . . . . 0.0 109.201 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 tp -68.53 -35.29 77.25 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.83 -37.34 81.71 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.18 -52.43 12.48 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.506 0.669 . . . . 0.0 109.293 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.77 -25.32 66.43 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.922 -1.111 . . . . 0.0 108.447 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.9 -39.66 86.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.22 -26.84 68.59 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -75.4 -47.21 28.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.421 -0.799 . . . . 0.0 109.53 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.495 1.813 0 O-C-N 120.924 -1.11 . . . . 0.0 108.708 179.71 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.99 127.04 53.1 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.267 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.34 -21.44 64.01 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.85 -47.47 70.96 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.53 -0.731 . . . . 0.0 109.358 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.14 -30.5 69.65 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.441 -0.787 . . . . 0.0 109.848 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.5 tp -71.62 -35.39 70.43 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.005 -1.059 . . . . 0.0 108.167 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.473 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.92 -38.74 83.24 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -74.2 -52.71 11.6 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.495 0.664 . . . . 0.0 109.616 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.15 -25.48 65.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.862 -1.149 . . . . 0.0 108.493 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.58 -39.21 84.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -60.66 -26.78 67.33 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -76.37 -47.13 24.45 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.472 -0.768 . . . . 0.0 109.788 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.495 1.788 0 O-C-N 120.984 -1.073 . . . . 0.0 109.39 -179.819 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' A' ' 14' ' ' ARG . 2.2 mmt-85 . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.6 p30 -106.08 126.94 52.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.39 -20.78 66.35 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.484 -0.76 . . . . 0.0 109.504 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.474 ' CD ' HD22 ' A' ' 15' ' ' ASN . 86.4 mt-10 -69.77 -33.52 72.52 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.315 -0.866 . . . . 0.0 109.828 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 tp -69.97 -33.38 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.084 -1.01 . . . . 0.0 108.717 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.56 -37.41 86.05 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.5 -52.61 11.44 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.468 0.651 . . . . 0.0 109.557 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.49 -25.44 66.07 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.918 -1.114 . . . . 0.0 108.389 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD12 HG23 ' A' ' 23' ' ' ILE . 2.0 mt -65.27 -39.19 84.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.01 -26.91 67.94 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -76.52 -47.25 23.33 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 0.0 109.494 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.495 1.818 0 O-C-N 120.918 -1.113 . . . . 0.0 108.9 179.745 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.5 p30 -106.78 126.82 52.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.09 -21.19 66.43 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -55.4 -49.82 71.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.593 -0.692 . . . . 0.0 109.416 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.466 ' CD ' HD22 ' A' ' 15' ' ' ASN . 88.3 mt-10 -67.39 -29.66 69.23 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.472 -0.768 . . . . 0.0 109.471 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.91 -36.87 72.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.089 -1.007 . . . . 0.0 108.562 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.38 -38.55 84.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.06 -52.37 12.87 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.565 0.698 . . . . 0.0 109.493 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.09 -25.45 65.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.835 -1.166 . . . . 0.0 108.371 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 HG22 ' A' ' 23' ' ' ILE . 2.0 mt -66.61 -38.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -60.52 -28.17 68.19 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.58 -47.19 23.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.463 -0.773 . . . . 0.0 109.498 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.961 -1.087 . . . . 0.0 108.956 179.754 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -106.3 126.85 52.74 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.456 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.34 -21.19 65.1 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -46.46 72.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.7 -33.56 75.14 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.532 -0.73 . . . . 0.0 109.723 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.39 -33.61 73.29 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.06 -36.37 81.45 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.12 -52.53 12.29 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.9 -25.63 66.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.021 -1.049 . . . . 0.0 108.301 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.2 -39.97 87.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.53 -26.43 67.93 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -73.41 -48.16 36.04 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.494 1.763 0 O-C-N 120.839 -1.163 . . . . 0.0 108.608 179.263 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -107.11 127.06 53.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.347 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.35 -20.98 64.94 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -46.57 75.64 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.48 -0.763 . . . . 0.0 108.962 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -66.66 -30.05 70.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.518 -0.739 . . . . 0.0 109.803 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.46 -38.74 68.18 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.14 -37.96 78.52 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 122.063 0.935 . . . . 0.0 108.497 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.58 -52.35 12.05 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.402 0.62 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.84 -25.29 66.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.923 -1.111 . . . . 0.0 108.492 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.34 -39.54 85.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.3 -26.79 68.61 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -75.5 -47.27 27.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.493 1.716 0 O-C-N 120.95 -1.094 . . . . 0.0 108.635 179.661 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.11 125.63 49.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.1 -21.49 65.86 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.098 -1.001 . . . . 0.0 108.455 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.77 -48.8 79.03 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.23 -31.48 67.42 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.174 -0.954 . . . . 0.0 108.724 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -74.58 -35.36 63.03 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -61.57 -37.56 84.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -73.52 -52.42 13.65 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.78 -25.2 66.37 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.952 -1.093 . . . . 0.0 108.432 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.409 HD12 HG22 ' A' ' 23' ' ' ILE . 1.7 mt -65.86 -39.04 83.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -61.7 -27.3 68.6 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.32 -47.07 24.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.304 -0.873 . . . . 0.0 109.467 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.495 1.81 0 O-C-N 120.956 -1.09 . . . . 0.0 108.669 179.569 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 15' ' ' ASN . 11.4 ptp180 . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -107.01 127.29 53.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 16.9 mp0 -62.72 -21.26 65.65 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -54.98 -49.09 72.3 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.583 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.67 -29.93 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.305 -0.872 . . . . 0.0 109.46 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.74 -35.97 72.93 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.05 -1.031 . . . . 0.0 108.507 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.35 -38.09 82.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 0.0 108.42 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.67 -53.81 8.6 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.74 -24.6 57.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.874 -1.141 . . . . 0.0 108.566 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.419 HD11 HG22 ' A' ' 23' ' ' ILE . 2.0 mt -67.88 -37.38 78.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -31.12 65.56 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.82 -47.43 21.48 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.603 -0.686 . . . . 0.0 109.594 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.907 -1.12 . . . . 0.0 108.859 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.85 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -66.76 103.19 1.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -1.144 . . . . 0.0 109.394 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -69.86 148.88 48.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -0.919 . . . . 0.0 109.823 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -63.6 120.95 12.75 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.684 -0.635 . . . . 0.0 109.648 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.8 p -118.55 -27.74 5.85 Favored 'General case' 0 N--CA 1.518 2.952 0 O-C-N 121.156 -0.965 . . . . 0.0 111.588 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -96.38 -58.41 2.07 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.26 1.028 . . . . 0.0 108.334 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.495 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.466 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -147.97 125.77 3.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-O 122.22 1.01 . . . . 0.0 108.915 -177.304 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -100.37 128.61 46.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.156 -0.965 . . . . 0.0 110.275 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.95 -20.31 25.57 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 121.378 -0.826 . . . . 0.0 111.175 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -132.91 98.49 4.31 Favored 'General case' 0 N--CA 1.51 2.545 0 O-C-N 121.187 -1.184 . . . . 0.0 109.083 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.5 161.27 13.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.485 -0.76 . . . . 0.0 109.174 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -119.78 133.61 55.54 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.432 0.634 . . . . 0.0 110.218 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -89.22 -39.66 13.38 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.06 126.23 51.96 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.29 -21.12 66.26 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.9 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -57.68 -45.69 85.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.308 -0.87 . . . . 0.0 109.367 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.02 -34.62 73.52 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.219 -0.925 . . . . 0.0 109.777 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.6 tp -68.75 -35.04 76.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.152 -0.967 . . . . 0.0 108.455 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -60.77 -37.58 82.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -74.48 -52.46 11.92 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.451 0.643 . . . . 0.0 109.434 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.43 -25.64 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.961 -1.087 . . . . 0.0 108.297 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.408 HD12 HG22 ' A' ' 23' ' ' ILE . 1.9 mt -65.05 -39.34 85.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -61.35 -27.0 68.2 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -76.24 -47.13 25.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.448 -0.782 . . . . 0.0 109.536 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.57 -50.11 75.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.882 -1.136 . . . . 0.0 108.815 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.42 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.7 64.01 0.06 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.301 -1.117 . . . . 0.0 109.423 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.877 0 N-CA-C 119.35 2.5 . . . . 0.0 119.35 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -69.06 139.56 54.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -1.126 . . . . 0.0 109.574 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -73.62 126.66 30.79 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -0.862 . . . . 0.0 109.174 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -66.75 122.83 18.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.392 -0.818 . . . . 0.0 109.829 -179.172 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -119.4 -25.36 6.08 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 121.269 -0.894 . . . . 0.0 110.944 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -113.24 -50.8 2.85 Favored 'General case' 0 N--CA 1.506 2.37 0 CA-C-O 121.625 0.726 . . . . 0.0 109.717 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.503 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.1 106.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-O 122.337 1.065 . . . . 0.0 109.785 -177.468 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -87.62 138.74 31.21 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.724 -1.235 . . . . 0.0 110.973 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.12 -20.43 3.92 Favored Glycine 0 N--CA 1.498 2.81 0 O-C-N 121.444 -0.785 . . . . 0.0 111.848 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -134.26 98.61 4.15 Favored 'General case' 0 N--CA 1.509 2.521 0 CA-C-N 118.73 1.265 . . . . 0.0 109.83 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.17 160.35 15.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.334 -0.854 . . . . 0.0 109.233 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 42.9 m-85 -120.11 132.86 55.58 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.32 -42.1 96.48 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -106.62 126.87 52.83 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.361 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.22 -21.38 65.09 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -54.38 -46.19 72.99 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.429 -0.794 . . . . 0.0 109.115 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.78 -32.72 73.49 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.499 -0.75 . . . . 0.0 109.737 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.05 -34.4 73.18 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.19 -36.84 80.96 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.07 -52.47 12.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.92 -25.11 66.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.876 -1.14 . . . . 0.0 108.442 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -65.36 -39.34 84.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.57 -26.95 68.85 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.49 -46.79 25.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.23 -0.919 . . . . 0.0 109.582 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.98 -49.71 75.9 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.8 -1.188 . . . . 0.0 108.839 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.65 66.46 0.04 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.387 -1.067 . . . . 0.0 109.363 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.846 0 N-CA-C 119.366 2.506 . . . . 0.0 119.366 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -67.86 98.61 0.75 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -1.179 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -69.81 148.28 49.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 109.569 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.533 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -65.66 118.62 9.82 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.374 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -119.83 -28.2 5.26 Favored 'General case' 0 N--CA 1.518 2.936 0 O-C-N 121.284 -0.885 . . . . 0.0 111.339 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -86.99 -49.49 7.31 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 122.723 1.249 . . . . 0.0 108.119 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.89 102.88 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 122.436 1.112 . . . . 0.0 109.901 -177.514 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -82.66 121.19 26.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.499 -1.376 . . . . 0.0 110.974 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.53 -19.95 50.95 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 121.405 -0.809 . . . . 0.0 112.02 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -134.11 97.93 3.99 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.016 1.408 . . . . 0.0 110.64 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.97 161.27 13.71 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 36.7 m-85 -124.86 133.39 53.1 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 121.279 0.562 . . . . 0.0 110.03 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -63.95 -42.19 97.38 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -102.69 126.36 49.77 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.92 -20.58 66.52 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.662 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.69 -48.33 81.27 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.04 -1.037 . . . . 0.0 108.45 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.77 -31.95 67.02 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.263 -0.898 . . . . 0.0 108.802 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 tp -74.69 -37.35 62.67 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.41 -39.23 86.65 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -73.47 -52.08 14.91 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.605 0.717 . . . . 0.0 109.407 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.855 -1.153 . . . . 0.0 108.484 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.53 -38.57 81.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.17 -28.44 69.12 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -75.91 -46.87 27.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.317 -0.864 . . . . 0.0 109.064 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.6 -48.94 78.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.918 -1.114 . . . . 0.0 109.073 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.425 ' C6 ' ' NZ ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.35 51.16 7.61 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.362 -1.081 . . . . 0.0 109.685 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.857 0 N-CA-C 119.358 2.503 . . . . 0.0 119.358 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -67.71 111.5 4.28 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.165 -1.197 . . . . 0.0 109.074 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.75 147.96 49.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.063 -1.023 . . . . 0.0 109.545 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -65.25 119.18 10.43 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.279 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.4 p -119.16 -27.34 5.7 Favored 'General case' 0 N--CA 1.517 2.912 0 O-C-N 121.247 -0.908 . . . . 0.0 111.293 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -94.19 -49.41 5.75 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 122.459 1.123 . . . . 0.0 108.482 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.17 111.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-O 122.241 1.019 . . . . 0.0 109.211 -177.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 137.82 32.05 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.781 -1.199 . . . . 0.0 110.784 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.8 -20.21 4.6 Favored Glycine 0 N--CA 1.497 2.734 0 O-C-N 121.585 -0.697 . . . . 0.0 111.566 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -134.18 98.39 4.11 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 121.158 -1.201 . . . . 0.0 110.102 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.04 160.81 14.75 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 51.4 m-85 -119.06 132.82 56.06 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.241 0.543 . . . . 0.0 109.714 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -64.0 -43.56 95.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.492 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.75 127.04 53.05 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.266 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.6 -21.28 64.2 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -53.97 -46.24 71.59 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.532 -0.73 . . . . 0.0 109.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.32 -33.23 73.93 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 109.68 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.1 tp -69.11 -34.37 74.97 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.0 -37.19 81.65 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.27 -52.6 11.84 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.534 0.683 . . . . 0.0 109.325 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.57 -25.37 66.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.92 -1.113 . . . . 0.0 108.405 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.12 -39.5 85.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.21 -27.12 68.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -75.18 -47.17 29.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.448 -0.782 . . . . 0.0 109.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' C ' ' H ' ' A' ' 28' ' ' GLY . 3.0 m-85 -62.68 -48.7 78.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 108.842 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.446 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.471 ' H ' ' C ' ' A' ' 26' ' ' PHE . . . -76.59 -53.79 5.31 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 . . . . . 0 N--CA 1.494 1.754 0 O-C-N 121.333 -1.098 . . . . 0.0 109.444 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 1 N--CA 1.529 4.872 0 N-CA-C 119.477 2.551 . . . . 0.0 119.477 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -82.49 98.17 8.79 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.284 -1.127 . . . . 0.0 109.439 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 1' ' ' GLY . 4.2 mp0 -72.78 147.71 45.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.17 -0.956 . . . . 0.0 109.092 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.41 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -67.53 118.44 10.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 109.393 -179.345 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.9 p -120.36 -26.04 5.51 Favored 'General case' 0 N--CA 1.513 2.719 0 O-C-N 121.316 -0.865 . . . . 0.0 110.79 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -119.81 -60.0 1.75 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.52 -0.738 . . . . 0.0 109.045 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.529 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.465 ' N ' ' O ' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -147.34 119.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-O 122.154 0.978 . . . . 0.0 108.776 -177.552 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -100.18 130.68 46.34 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.079 -1.013 . . . . 0.0 109.999 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.86 -20.65 27.34 Favored Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -134.39 97.87 3.94 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.216 -1.167 . . . . 0.0 109.355 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.76 160.52 14.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.326 -0.859 . . . . 0.0 108.691 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.41 ' O ' ' CZ ' ' A' ' 4' ' ' TYR . 29.9 m-85 -115.74 142.93 46.1 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.434 0.635 . . . . 0.0 110.402 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -89.39 -40.31 12.83 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 106.725 -1.584 . . . . 0.0 106.725 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.75 126.24 52.04 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.452 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -67.57 -21.53 65.43 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.739 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 17' ' ' LYS . 3.0 ttmp? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.193 -0.942 . . . . 0.0 109.106 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -69.02 -29.83 68.08 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -70.99 -35.89 72.27 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -59.48 -38.37 80.66 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -74.73 -52.65 10.98 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.445 0.64 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.75 -25.66 65.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.825 -1.172 . . . . 0.0 108.306 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.74 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.41 -27.26 67.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.85 -47.43 21.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.508 -0.745 . . . . 0.0 109.529 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.501 ' C ' ' H ' ' A' ' 28' ' ' GLY . 4.4 m-85 -61.05 -48.64 80.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.912 -1.117 . . . . 0.0 108.951 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.443 ' C6 ' ' OA ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.501 ' H ' ' C ' ' A' ' 26' ' ' PHE . . . -87.88 -60.54 1.58 Allowed Glycine 0 N--CA 1.498 2.81 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.362 -1.081 . . . . 0.0 109.91 -179.896 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.812 0 N-CA-C 119.377 2.511 . . . . 0.0 119.377 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -68.93 125.27 26.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -1.143 . . . . 0.0 109.456 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -69.76 150.14 47.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.207 -0.933 . . . . 0.0 109.653 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.617 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -63.76 118.68 8.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.704 -0.623 . . . . 0.0 109.73 -178.15 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 p -119.74 -27.59 5.42 Favored 'General case' 0 N--CA 1.516 2.873 0 O-C-N 121.219 -0.926 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -97.56 -50.54 4.46 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-O 122.254 1.026 . . . . 0.0 108.666 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.88 125.8 3.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -177.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -101.2 139.44 36.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.094 -1.004 . . . . 0.0 110.479 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.09 -20.07 2.63 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -133.23 98.72 4.33 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 121.199 -1.177 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.08 160.68 14.18 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -118.0 133.64 55.72 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.457 0.646 . . . . 0.0 110.508 -178.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -86.85 -39.83 15.47 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.15 51.89 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.703 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 2.8 mp0 -66.62 -21.37 66.12 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.559 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -57.2 -47.03 82.3 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 109.291 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -68.14 -32.34 72.54 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 121.239 -0.913 . . . . 0.0 109.591 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.53 -36.07 73.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.253 -0.904 . . . . 0.0 108.706 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.65 -37.84 82.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.183 -0.948 . . . . 0.0 108.448 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -74.69 -52.98 10.16 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.602 0.715 . . . . 0.0 109.425 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.14 -25.29 63.74 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.945 -1.097 . . . . 0.0 108.364 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.402 HD12 HG21 ' A' ' 23' ' ' ILE . 2.1 mt -67.22 -38.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -59.92 -29.25 68.25 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -76.73 -46.94 23.44 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.442 -0.786 . . . . 0.0 109.142 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.04 -51.05 71.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.856 -1.152 . . . . 0.0 109.058 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.42 ' C6 ' ' OA ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.28 -44.51 59.33 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.21 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.843 0 N-CA-C 119.446 2.538 . . . . 0.0 119.446 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.418 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 6.8 mp0 -66.79 112.61 4.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.261 -1.141 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -69.78 147.63 50.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 109.265 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.26 120.15 12.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.332 -0.855 . . . . 0.0 109.821 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -119.42 -25.79 5.96 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 121.313 -0.867 . . . . 0.0 110.593 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -117.41 -60.47 1.82 Allowed 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.62 -0.675 . . . . 0.0 109.181 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.539 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.468 ' N ' ' O ' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -147.53 115.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 CA-C-O 122.244 1.021 . . . . 0.0 109.411 -177.416 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -95.68 123.3 39.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.925 -1.11 . . . . 0.0 110.054 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.2 -20.71 46.31 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 121.362 -0.836 . . . . 0.0 111.191 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -134.23 97.91 3.97 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 121.149 -1.206 . . . . 0.0 109.602 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.439 ' H ' ' HG1' ' A' ' 12' ' ' THR . 0.0 OUTLIER -102.71 161.29 13.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.312 -0.867 . . . . 0.0 109.016 179.469 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 59.4 m-85 -123.55 132.89 54.01 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.325 0.583 . . . . 0.0 110.014 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 10.5 mpt_? -64.71 -41.69 95.81 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.461 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -105.93 126.82 52.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.569 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.06 -24.79 68.07 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.346 -0.941 . . . . 0.0 108.831 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.25 -47.99 79.99 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.892 -1.13 . . . . 0.0 108.635 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -60.22 -31.37 70.11 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.39 -0.819 . . . . 0.0 108.945 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.21 -35.19 63.9 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -37.3 84.5 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.71 -52.23 13.94 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.41 -25.34 67.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.963 -1.086 . . . . 0.0 108.421 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.59 -39.61 86.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.49 -27.17 68.95 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -74.68 -47.31 32.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.33 -0.856 . . . . 0.0 109.372 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.71 -49.69 76.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.991 -1.068 . . . . 0.0 108.662 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.417 ' HZ ' ' H9 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 179.74 -60.15 0.08 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.604 -1.399 . . . . 0.0 109.604 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.255 -1.144 . . . . 0.0 109.328 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.744 0 N-CA-C 119.496 2.558 . . . . 0.0 119.496 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.411 ' CD ' ' N ' ' A' ' 2' ' ' GLN . 4.5 mp0 -66.8 124.39 22.81 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.258 -1.142 . . . . 0.0 109.356 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -69.91 147.75 49.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 0.0 109.36 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -65.72 119.15 10.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 110.017 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.5 p -120.18 -26.4 5.5 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 121.252 -0.905 . . . . 0.0 110.604 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.532 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -121.36 -61.38 1.54 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.437 -0.789 . . . . 0.0 108.972 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.532 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -146.33 108.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 CA-C-O 122.335 1.064 . . . . 0.0 108.934 -177.575 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' C ' ' H ' ' A' ' 11' ' ' ARG . 36.9 ttpt -89.75 149.25 22.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.764 -1.21 . . . . 0.0 111.0 -178.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.34 -20.57 0.58 Allowed Glycine 0 N--CA 1.494 2.544 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.478 ' H ' ' C ' ' A' ' 9' ' ' LYS . 12.4 mtt-85 -134.32 98.69 4.17 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.254 -1.145 . . . . 0.0 109.65 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.27 155.99 18.56 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 52.2 m-85 -110.47 133.34 53.37 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.189 0.519 . . . . 0.0 110.733 -178.227 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -77.18 -43.07 35.14 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.6 p30 -106.41 126.65 52.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.413 ' CD ' ' N ' ' A' ' 16' ' ' GLU . 4.3 mp0 -63.89 -20.87 66.17 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.084 -1.046 . . . . 0.0 108.289 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -54.66 -48.48 72.29 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.268 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.449 ' CD ' HD22 ' A' ' 15' ' ' ASN . 89.8 mt-10 -68.77 -29.89 68.37 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.356 -0.84 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.61 -35.91 75.71 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.34 -38.32 83.44 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.07 -52.43 12.68 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.576 0.703 . . . . 0.0 109.427 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.15 -25.37 65.47 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.979 -1.076 . . . . 0.0 108.375 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 HG23 ' A' ' 23' ' ' ILE . 2.1 mt -66.71 -38.18 81.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -60.67 -28.42 68.58 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -76.77 -47.04 22.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.423 -0.798 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.64 -49.37 78.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.009 -1.057 . . . . 0.0 108.988 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.558 ' HZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.69 -66.23 0.05 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.322 -1.105 . . . . 0.0 109.479 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.757 0 N-CA-C 119.441 2.536 . . . . 0.0 119.441 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -67.34 138.83 57.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -1.169 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -72.33 148.67 45.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.15 -0.969 . . . . 0.0 109.738 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.581 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.47 120.24 11.92 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.734 -0.604 . . . . 0.0 109.53 -178.789 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 p -119.24 -27.54 5.63 Favored 'General case' 0 N--CA 1.517 2.906 0 O-C-N 121.283 -0.886 . . . . 0.0 111.22 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -90.94 -50.95 5.59 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 122.56 1.172 . . . . 0.0 108.394 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.8 119.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 122.3 1.048 . . . . 0.0 109.056 -178.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -97.99 113.72 25.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.993 -1.067 . . . . 0.0 110.088 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.39 -19.3 54.39 Favored Glycine 0 N--CA 1.503 3.131 0 O-C-N 121.51 -0.744 . . . . 0.0 111.376 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -132.85 98.12 4.22 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 121.128 -1.219 . . . . 0.0 110.056 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.75 161.48 13.62 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 47.6 m-85 -123.22 135.64 54.37 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.287 0.565 . . . . 0.0 110.075 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.24 -43.01 92.74 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.48 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.9 OUTLIER -106.87 126.95 52.97 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.168 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.41 -20.94 65.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -55.3 -47.63 75.31 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.426 -0.796 . . . . 0.0 109.173 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.472 ' CD ' HD22 ' A' ' 15' ' ' ASN . 99.0 mt-10 -66.79 -29.85 69.9 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.621 -0.675 . . . . 0.0 109.761 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.43 -40.2 70.56 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -57.41 -38.13 73.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 108.781 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -74.86 -53.06 9.77 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.747 0.784 . . . . 0.0 109.552 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.05 -25.18 63.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.719 -1.238 . . . . 0.0 108.437 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -67.87 -38.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -56.64 -30.25 63.12 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -77.14 -40.66 44.78 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.565 -0.709 . . . . 0.0 109.433 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.26 -24.9 62.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.906 -1.121 . . . . 0.0 110.081 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.483 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.41 45.06 0.05 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.452 -1.028 . . . . 0.0 109.538 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.836 0 N-CA-C 119.377 2.511 . . . . 0.0 119.377 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -66.6 143.38 57.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.33 -1.1 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -70.13 148.22 48.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.15 -0.969 . . . . 0.0 109.695 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.57 121.08 13.59 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -179.407 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 p -119.04 -28.26 5.54 Favored 'General case' 0 N--CA 1.516 2.847 0 O-C-N 121.351 -0.843 . . . . 0.0 111.263 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -82.67 -53.64 5.77 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 122.808 1.29 . . . . 0.0 107.938 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.432 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -146.82 102.6 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-O 122.555 1.169 . . . . 0.0 109.933 -177.597 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -80.52 118.22 21.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.452 -1.405 . . . . 0.0 111.034 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.11 -19.58 53.85 Favored Glycine 0 N--CA 1.503 3.108 0 O-C-N 121.392 -0.818 . . . . 0.0 112.233 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.79 98.76 4.26 Favored 'General case' 0 N--CA 1.51 2.568 0 CA-C-N 119.183 1.492 . . . . 0.0 110.702 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.66 161.57 13.51 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 35.5 m-85 -127.78 133.54 49.47 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-O 121.312 0.577 . . . . 0.0 110.213 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -64.57 -40.97 96.5 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -104.81 126.58 52.03 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.689 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' OE1' ' CE2' ' A' ' 4' ' ' TYR . 12.2 mm-40 -64.71 -20.81 66.54 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.841 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -61.48 -48.47 80.95 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.007 -1.058 . . . . 0.0 108.264 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.452 ' CD ' HD22 ' A' ' 15' ' ' ASN . 94.2 mt-10 -58.73 -31.07 67.96 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 121.196 -0.94 . . . . 0.0 108.848 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.38 -38.19 63.23 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.27 83.62 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.79 -52.23 13.8 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.439 0.638 . . . . 0.0 109.657 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.86 -25.29 66.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.836 -1.165 . . . . 0.0 108.462 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.67 -38.99 83.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.13 -27.02 68.08 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -75.66 -47.11 27.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.404 -0.81 . . . . 0.0 109.413 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.62 -42.9 98.14 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.922 -1.111 . . . . 0.0 108.996 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.519 ' HZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.16 -44.32 0.04 OUTLIER Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 . . . . . 0 N--CA 1.496 1.859 0 O-C-N 121.493 -1.004 . . . . 0.0 109.254 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.802 0 N-CA-C 119.482 2.553 . . . . 0.0 119.482 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -68.88 98.35 0.93 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -1.177 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -71.15 127.52 32.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -64.62 122.51 17.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.393 -0.817 . . . . 0.0 109.85 -179.276 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -119.33 -25.64 6.04 Favored 'General case' 0 N--CA 1.513 2.677 0 O-C-N 121.306 -0.871 . . . . 0.0 110.971 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -111.18 -47.08 3.23 Favored 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 121.659 0.742 . . . . 0.0 109.571 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.484 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.47 109.86 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 122.239 1.018 . . . . 0.0 109.636 -177.53 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -92.79 137.52 32.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.823 -1.173 . . . . 0.0 110.757 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.55 -20.89 5.72 Favored Glycine 0 N--CA 1.498 2.785 0 O-C-N 121.56 -0.713 . . . . 0.0 111.47 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.9 mtt-85 -134.49 98.26 4.03 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.088 -1.242 . . . . 0.0 109.649 179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.85 160.26 15.15 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.277 -0.889 . . . . 0.0 109.212 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.466 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 41.8 m-85 -120.58 132.77 55.31 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.278 0.561 . . . . 0.0 109.52 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' N ' ' CD ' ' A' ' 14' ' ' ARG . 10.8 mpt_? -61.42 -43.67 98.47 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -107.02 127.38 53.41 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.437 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.34 -23.26 64.11 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.32 -47.85 68.94 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.17 -33.67 76.3 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.34 -0.85 . . . . 0.0 109.464 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.41 -33.73 74.75 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ttt-85 -61.87 -36.37 81.06 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.227 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.1 -52.24 13.2 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.481 0.657 . . . . 0.0 109.258 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.4 -25.38 67.16 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.957 -1.089 . . . . 0.0 108.343 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.18 -39.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -62.97 -26.77 68.99 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -73.87 -47.38 38.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.319 -0.863 . . . . 0.0 109.287 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.38 -44.06 96.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.955 -1.09 . . . . 0.0 108.401 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.97 -59.82 0.15 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.302 -1.116 . . . . 0.0 109.406 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.883 0 N-CA-C 119.415 2.526 . . . . 0.0 119.415 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -66.7 106.78 1.93 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -1.099 . . . . 0.0 109.377 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -69.8 149.79 47.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.177 -0.952 . . . . 0.0 109.728 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.61 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -63.75 120.27 11.53 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.767 -0.583 . . . . 0.0 109.567 -178.599 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 p -118.95 -26.14 6.08 Favored 'General case' 0 N--CA 1.514 2.755 0 O-C-N 121.258 -0.901 . . . . 0.0 111.168 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -104.46 -50.37 3.34 Favored 'General case' 0 N--CA 1.505 2.289 0 CA-C-O 122.091 0.948 . . . . 0.0 109.245 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.482 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -147.56 114.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 CA-C-O 122.124 0.964 . . . . 0.0 109.104 -178.043 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.507 ' C ' ' H ' ' A' ' 11' ' ' ARG . 50.6 mtpt -97.98 148.54 23.37 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.375 -0.828 . . . . 0.0 110.133 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.76 -21.11 0.78 Allowed Glycine 0 N--CA 1.496 2.672 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.507 ' H ' ' C ' ' A' ' 9' ' ' LYS . 25.4 mmm-85 -133.93 134.3 42.43 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.41 161.25 38.15 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 31.9 m-85 -124.77 133.29 53.2 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 121.336 0.588 . . . . 0.0 110.158 -178.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.412 ' HG2' HH11 ' A' ' 14' ' ' ARG . 8.9 ttt-85 -65.21 -42.12 93.81 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.1 p30 -106.21 127.06 52.95 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.82 -21.32 64.53 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.225 -0.99 . . . . 0.0 108.384 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -54.07 -47.01 72.13 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.466 -0.771 . . . . 0.0 109.173 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.83 -32.41 72.92 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.512 -0.742 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.96 -34.25 73.16 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.15 -36.75 80.62 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -52.46 12.62 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.95 -25.22 66.66 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.013 -1.054 . . . . 0.0 108.532 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -64.53 -39.91 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.96 -26.99 68.53 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -74.96 -47.19 30.74 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.36 -0.837 . . . . 0.0 109.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.49 -49.69 76.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.993 -1.067 . . . . 0.0 108.925 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.4 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.88 45.13 0.05 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.454 -1.027 . . . . 0.0 109.42 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.842 0 N-CA-C 119.421 2.528 . . . . 0.0 119.421 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.622 HE21 HE22 ' A' ' 3' ' ' GLN . 68.0 tp60 -67.35 109.73 3.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -1.177 . . . . 0.0 109.211 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.622 HE22 HE21 ' A' ' 2' ' ' GLN . 2.3 pm0 -69.68 146.35 51.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.279 -0.888 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -69.78 122.04 18.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.249 -0.907 . . . . 0.0 110.067 -179.001 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.512 ' CG2' HE21 ' A' ' 3' ' ' GLN . 29.5 p -119.78 -25.36 5.91 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 121.368 -0.832 . . . . 0.0 110.749 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -114.67 -56.79 2.34 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.635 -0.666 . . . . 0.0 109.427 -178.277 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.537 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.18 110.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-O 122.178 0.989 . . . . 0.0 109.464 -177.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -92.78 137.34 32.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.827 -1.17 . . . . 0.0 110.558 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.04 -20.92 6.15 Favored Glycine 0 N--CA 1.497 2.764 0 O-C-N 121.598 -0.689 . . . . 0.0 111.435 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -134.48 98.4 4.07 Favored 'General case' 0 N--CA 1.509 2.52 0 O-C-N 121.127 -1.22 . . . . 0.0 109.784 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.49 160.62 15.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.338 -0.851 . . . . 0.0 109.245 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 50.9 m-85 -120.45 132.31 55.16 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.182 0.515 . . . . 0.0 109.642 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.451 HH11 ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -65.17 -41.58 94.53 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 179.074 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.34 52.12 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.415 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 3.0 mp0 -63.74 -21.69 66.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.62 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -55.74 -45.08 78.07 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.301 -0.874 . . . . 0.0 108.881 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.393 -0.817 . . . . 0.0 109.201 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 tp -68.53 -35.29 77.25 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.83 -37.34 81.71 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.18 -52.43 12.48 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.506 0.669 . . . . 0.0 109.293 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.77 -25.32 66.43 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.922 -1.111 . . . . 0.0 108.447 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.9 -39.66 86.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.22 -26.84 68.59 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -75.4 -47.21 28.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.421 -0.799 . . . . 0.0 109.53 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.475 ' C ' ' H ' ' A' ' 28' ' ' GLY . 3.7 m-85 -59.53 -49.76 76.52 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.924 -1.11 . . . . 0.0 108.708 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.41 ' C2 ' ' H11' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.475 ' H ' ' C ' ' A' ' 26' ' ' PHE . . . -174.71 48.62 0.14 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.391 -1.064 . . . . 0.0 109.538 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.352 2.501 . . . . 0.0 119.352 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.33 108.06 3.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -1.144 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -69.88 148.27 49.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 0.0 109.323 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -66.34 118.14 9.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.495 -0.753 . . . . 0.0 109.16 -179.256 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -119.91 -27.56 5.36 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.254 -0.904 . . . . 0.0 111.263 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -93.89 -49.9 5.6 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 122.314 1.054 . . . . 0.0 108.613 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.14 102.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 CA-C-O 122.355 1.074 . . . . 0.0 109.837 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -83.86 130.1 34.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.471 -1.393 . . . . 0.0 110.983 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.79 -20.31 24.83 Favored Glycine 0 N--CA 1.5 2.954 0 O-C-N 121.466 -0.771 . . . . 0.0 111.955 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -134.21 98.21 4.06 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 118.957 1.378 . . . . 0.0 110.238 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.17 161.04 14.13 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 55.3 m-85 -119.32 133.39 55.76 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -63.53 -43.97 95.58 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.496 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.99 127.04 53.1 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.267 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.34 -21.44 64.01 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.85 -47.47 70.96 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.53 -0.731 . . . . 0.0 109.358 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.14 -30.5 69.65 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.441 -0.787 . . . . 0.0 109.848 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.5 tp -71.62 -35.39 70.43 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.005 -1.059 . . . . 0.0 108.167 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.473 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.92 -38.74 83.24 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.282 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -74.2 -52.71 11.6 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.495 0.664 . . . . 0.0 109.616 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.15 -25.48 65.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.862 -1.149 . . . . 0.0 108.493 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.58 -39.21 84.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -60.66 -26.78 67.33 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -76.37 -47.13 24.45 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.472 -0.768 . . . . 0.0 109.788 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.81 -50.96 64.67 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.984 -1.073 . . . . 0.0 109.39 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.451 ' HZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.84 53.38 0.06 OUTLIER Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.361 -1.082 . . . . 0.0 109.561 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 1 N--CA 1.529 4.866 0 N-CA-C 119.371 2.508 . . . . 0.0 119.371 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.03 104.92 3.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -1.189 . . . . 0.0 109.502 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.461 ' H ' ' CD ' ' A' ' 3' ' ' GLN . 17.9 mp0 -70.02 149.13 48.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.122 -0.986 . . . . 0.0 109.421 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.65 119.3 9.62 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.571 -0.706 . . . . 0.0 109.583 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -118.84 -27.76 5.73 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 121.124 -0.985 . . . . 0.0 111.345 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -96.55 -56.57 2.56 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-O 122.248 1.023 . . . . 0.0 108.42 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.496 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.413 ' N ' ' O ' ' A' ' 6' ' ' ALA . 0.9 OUTLIER -148.2 127.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 CA-C-O 122.181 0.991 . . . . 0.0 108.823 -177.412 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -102.89 132.86 48.81 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.25 -0.906 . . . . 0.0 110.086 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.86 -20.5 12.15 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -133.58 98.51 4.22 Favored 'General case' 0 N--CA 1.509 2.488 0 O-C-N 121.325 -1.103 . . . . 0.0 109.356 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.34 161.27 13.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.49 -0.756 . . . . 0.0 109.06 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -119.59 133.85 55.48 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.465 0.65 . . . . 0.0 110.444 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.427 ' HG2' HH11 ' A' ' 14' ' ' ARG . 2.2 mmt-85 -87.44 -40.37 14.43 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.901 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.6 p30 -106.08 126.94 52.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.39 -20.78 66.35 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.484 -0.76 . . . . 0.0 109.504 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.474 ' CD ' HD22 ' A' ' 15' ' ' ASN . 86.4 mt-10 -69.77 -33.52 72.52 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.315 -0.866 . . . . 0.0 109.828 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 tp -69.97 -33.38 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.084 -1.01 . . . . 0.0 108.717 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.56 -37.41 86.05 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.5 -52.61 11.44 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.468 0.651 . . . . 0.0 109.557 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.49 -25.44 66.07 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.918 -1.114 . . . . 0.0 108.389 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD12 HG23 ' A' ' 23' ' ' ILE . 2.0 mt -65.27 -39.19 84.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.01 -26.91 67.94 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -76.52 -47.25 23.33 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 0.0 109.494 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.401 ' CD2' ' H22' ' A' ' 27' ' ' DNS . 3.9 m-85 -60.39 -49.72 76.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.918 -1.113 . . . . 0.0 108.9 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.552 ' HZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.83 -63.56 0.07 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.55 ' N ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.201 -1.176 . . . . 0.0 108.357 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.812 0 N-CA-C 119.416 2.526 . . . . 0.0 119.416 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -67.06 139.36 57.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.225 -1.162 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -69.88 149.04 48.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.0 109.611 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.06 119.01 9.34 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.6 p -119.43 -28.61 5.32 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 121.299 -0.876 . . . . 0.0 111.144 -179.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -87.11 -50.16 6.81 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 122.779 1.276 . . . . 0.0 108.009 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.23 116.72 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-O 122.285 1.041 . . . . 0.0 108.779 -177.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -94.32 137.92 32.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.793 -1.192 . . . . 0.0 110.387 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.7 -20.07 4.62 Favored Glycine 0 N--CA 1.496 2.696 0 O-C-N 121.57 -0.706 . . . . 0.0 111.351 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -134.04 98.48 4.15 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 121.209 -1.171 . . . . 0.0 110.134 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.25 160.72 14.11 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 36.2 m-85 -116.8 135.18 53.95 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.419 0.628 . . . . 0.0 110.639 -177.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.97 -42.77 23.3 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.497 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.5 p30 -106.78 126.82 52.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.09 -21.19 66.43 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -55.4 -49.82 71.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.593 -0.692 . . . . 0.0 109.416 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.466 ' CD ' HD22 ' A' ' 15' ' ' ASN . 88.3 mt-10 -67.39 -29.66 69.23 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.472 -0.768 . . . . 0.0 109.471 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.91 -36.87 72.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.089 -1.007 . . . . 0.0 108.562 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.38 -38.55 84.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.06 -52.37 12.87 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.565 0.698 . . . . 0.0 109.493 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.09 -25.45 65.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.835 -1.166 . . . . 0.0 108.371 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD13 HG22 ' A' ' 23' ' ' ILE . 2.0 mt -66.61 -38.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 178.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -60.52 -28.17 68.19 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.58 -47.19 23.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.463 -0.773 . . . . 0.0 109.498 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.72 -48.65 79.8 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.961 -1.087 . . . . 0.0 108.956 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.439 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.12 56.53 0.09 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.655 ' H ' ' HE ' ' A' ' 29' ' ' ARG . 2.1 mmp_? . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.313 -1.11 . . . . 0.0 109.818 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.416 2.526 . . . . 0.0 119.416 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.17 136.11 54.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.203 -1.175 . . . . 0.0 109.461 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -69.88 142.62 52.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -64.32 124.13 20.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.478 -0.764 . . . . 0.0 109.953 -179.068 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -119.52 -25.37 6.02 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.257 -0.902 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.505 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -113.73 -50.36 2.84 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.541 0.686 . . . . 0.0 109.679 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.505 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.37 110.91 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-O 122.206 1.003 . . . . 0.0 109.337 -177.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -94.59 143.26 26.57 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.741 -1.224 . . . . 0.0 110.462 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.48 -21.06 1.98 Allowed Glycine 0 N--CA 1.495 2.605 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HG2' ' A' ' 11' ' ' ARG . 19.2 mtt-85 -134.98 98.56 4.04 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.144 -1.21 . . . . 0.0 109.82 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.32 160.28 15.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.36 -0.837 . . . . 0.0 108.897 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 42.2 m-85 -118.9 132.95 56.12 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.21 -41.78 94.14 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.455 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -106.3 126.85 52.74 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.456 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.34 -21.19 65.1 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -46.46 72.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.7 -33.56 75.14 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.532 -0.73 . . . . 0.0 109.723 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.39 -33.61 73.29 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.06 -36.37 81.45 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.12 -52.53 12.29 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.9 -25.63 66.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.021 -1.049 . . . . 0.0 108.301 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.2 -39.97 87.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.53 -26.43 67.93 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -73.41 -48.16 36.04 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.29 -47.77 80.9 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.839 -1.163 . . . . 0.0 108.608 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.484 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.51 -51.91 0.46 Allowed Glycine 0 N--CA 1.496 2.697 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 HH11 ' HG2' ' A' ' 29' ' ' ARG . 25.1 mtt-85 . . . . . 0 N--CA 1.497 1.877 0 O-C-N 121.482 -1.011 . . . . 0.0 109.451 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.883 0 N-CA-C 119.394 2.517 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.458 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.7 OUTLIER -66.6 134.55 52.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.242 -1.152 . . . . 0.0 109.697 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -78.96 148.75 32.49 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.189 -0.945 . . . . 0.0 109.718 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.577 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.37 124.05 20.77 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.209 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 p -118.88 -28.31 5.59 Favored 'General case' 0 N--CA 1.515 2.813 0 O-C-N 121.389 -0.819 . . . . 0.0 111.097 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -86.69 -52.32 5.6 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-O 122.83 1.3 . . . . 0.0 107.904 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.417 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.94 134.28 12.59 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 CA-C-O 122.346 1.069 . . . . 0.0 108.436 -178.055 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 11' ' ' ARG . 62.8 tttm -80.59 105.06 11.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.189 -0.944 . . . . 0.0 111.486 -177.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.4 -20.73 0.58 Allowed Glycine 0 N--CA 1.496 2.689 0 O-C-N 121.391 -0.818 . . . . 0.0 112.004 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.429 ' H ' ' C ' ' A' ' 9' ' ' LYS . 12.6 mpt_? -92.47 98.72 11.64 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.796 -1.414 . . . . 0.0 108.478 179.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.517 ' H ' ' HG1' ' A' ' 12' ' ' THR . 0.1 OUTLIER -107.7 161.28 15.02 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.26 -0.9 . . . . 0.0 109.042 179.748 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 35.4 m-85 -132.68 133.73 43.92 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.356 0.598 . . . . 0.0 109.777 -178.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -61.66 -42.93 99.59 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.472 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -107.11 127.06 53.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.347 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.35 -20.98 64.94 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -46.57 75.64 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.48 -0.763 . . . . 0.0 108.962 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -66.66 -30.05 70.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.518 -0.739 . . . . 0.0 109.803 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.46 -38.74 68.18 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.14 -37.96 78.52 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 122.063 0.935 . . . . 0.0 108.497 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.58 -52.35 12.05 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.402 0.62 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.84 -25.29 66.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.923 -1.111 . . . . 0.0 108.492 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.34 -39.54 85.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.3 -26.79 68.61 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -75.5 -47.27 27.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.4 -49.31 78.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.95 -1.094 . . . . 0.0 108.635 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.03 59.81 0.13 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 . . . . . 0 N--CA 1.505 2.301 0 CA-C-O 117.928 -1.034 . . . . 0.0 108.923 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.863 0 N-CA-C 119.479 2.552 . . . . 0.0 119.479 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -66.88 119.61 12.18 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -1.121 . . . . 0.0 109.435 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.75 149.36 48.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.589 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.35 118.96 9.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.623 -0.673 . . . . 0.0 109.685 -178.512 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -119.35 -27.1 5.68 Favored 'General case' 0 N--CA 1.517 2.886 0 O-C-N 121.288 -0.883 . . . . 0.0 110.986 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -98.57 -49.27 4.69 Favored 'General case' 0 N--CA 1.503 2.178 0 CA-C-O 122.308 1.051 . . . . 0.0 108.651 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.1 pp -147.16 113.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-O 122.297 1.046 . . . . 0.0 108.845 -178.031 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -92.74 132.1 37.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.761 -1.212 . . . . 0.0 110.611 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.54 -20.12 12.48 Favored Glycine 0 N--CA 1.497 2.748 0 O-C-N 121.488 -0.758 . . . . 0.0 111.626 178.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -134.02 98.32 4.11 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 118.747 1.274 . . . . 0.0 110.054 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.83 161.44 13.74 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.497 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 43.7 m-85 -125.86 132.77 52.12 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 121.364 0.602 . . . . 0.0 110.44 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -69.71 -36.62 76.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.11 125.63 49.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.1 -21.49 65.86 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.098 -1.001 . . . . 0.0 108.455 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.77 -48.8 79.03 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.23 -31.48 67.42 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.174 -0.954 . . . . 0.0 108.724 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -74.58 -35.36 63.03 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -61.57 -37.56 84.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -73.52 -52.42 13.65 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.78 -25.2 66.37 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.952 -1.093 . . . . 0.0 108.432 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.409 HD12 HG22 ' A' ' 23' ' ' ILE . 1.7 mt -65.86 -39.04 83.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 179.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -61.7 -27.3 68.6 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.32 -47.07 24.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.304 -0.873 . . . . 0.0 109.467 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.26 -49.08 79.03 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.956 -1.09 . . . . 0.0 108.669 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.436 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.6 -54.38 5.5 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.221 -1.551 . . . . 0.0 109.221 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.083 0 O-C-N 121.386 -1.067 . . . . 0.0 108.335 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.347 2.499 . . . . 0.0 119.347 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' NE2' ' H5 ' ' A' ' 7' ' ' NAL . 53.9 tt0 -67.58 115.4 7.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -1.173 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -69.86 140.89 53.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.152 -0.967 . . . . 0.0 109.505 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -67.42 119.11 11.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.837 . . . . 0.0 109.673 -179.074 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 p -120.06 -26.18 5.6 Favored 'General case' 0 N--CA 1.511 2.619 0 O-C-N 121.453 -0.779 . . . . 0.0 110.447 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -120.98 -61.31 1.57 Allowed 'General case' 0 N--CA 1.505 2.276 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' NAL . . . . . 0.519 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.481 ' N ' ' O ' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -147.06 115.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-O 122.177 0.989 . . . . 0.0 109.227 -177.22 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -96.32 138.53 33.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.985 -1.072 . . . . 0.0 110.243 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.99 -20.83 6.19 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -134.13 98.21 4.07 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.202 -1.175 . . . . 0.0 109.253 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.63 160.45 14.34 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.366 -0.833 . . . . 0.0 109.079 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' PHE . . . . . 0.423 ' O ' ' CZ ' ' A' ' 4' ' ' TYR . 38.6 m-85 -116.09 133.83 55.6 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 121.399 0.619 . . . . 0.0 110.703 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 15' ' ' ASN . 11.4 ptp180 -80.16 -43.47 21.54 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -107.01 127.29 53.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.695 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.405 ' N ' ' CD ' ' A' ' 16' ' ' GLU . 16.9 mp0 -62.72 -21.26 65.65 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -54.98 -49.09 72.3 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.583 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.67 -29.93 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.305 -0.872 . . . . 0.0 109.46 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.74 -35.97 72.93 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.05 -1.031 . . . . 0.0 108.507 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.35 -38.09 82.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 0.0 108.42 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.67 -53.81 8.6 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.74 -24.6 57.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.874 -1.141 . . . . 0.0 108.566 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.419 HD11 HG22 ' A' ' 23' ' ' ILE . 2.0 mt -67.88 -37.38 78.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 178.749 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -31.12 65.56 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.82 -47.43 21.48 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.603 -0.686 . . . . 0.0 109.594 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . 0.455 ' CD2' ' H23' ' A' ' 27' ' ' DNS . 3.9 m-85 -59.07 -49.56 77.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.907 -1.12 . . . . 0.0 108.859 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' DNS . . . . . 0.56 ' HZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.48 -53.03 0.14 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.422 ' NH1' ' CG ' ' A' ' 29' ' ' ARG . 2.0 mmt-85 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.293 -1.122 . . . . 0.0 109.368 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.498 1.959 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.06 126.23 51.96 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.29 -21.12 66.26 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.9 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -57.68 -45.69 85.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.308 -0.87 . . . . 0.0 109.367 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.02 -34.62 73.52 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.219 -0.925 . . . . 0.0 109.777 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.6 tp -68.75 -35.04 76.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.152 -0.967 . . . . 0.0 108.455 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -60.77 -37.58 82.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -74.48 -52.46 11.92 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.451 0.643 . . . . 0.0 109.434 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.43 -25.64 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.961 -1.087 . . . . 0.0 108.297 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.05 -39.34 85.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -61.35 -27.0 68.2 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -76.24 -47.13 25.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.448 -0.782 . . . . 0.0 109.536 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.495 1.811 0 O-C-N 120.882 -1.136 . . . . 0.0 108.815 179.771 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -106.62 126.87 52.83 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.361 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.22 -21.38 65.09 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -54.38 -46.19 72.99 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.429 -0.794 . . . . 0.0 109.115 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.78 -32.72 73.49 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.499 -0.75 . . . . 0.0 109.737 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.05 -34.4 73.18 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.19 -36.84 80.96 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.07 -52.47 12.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.92 -25.11 66.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.876 -1.14 . . . . 0.0 108.442 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -65.36 -39.34 84.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.57 -26.95 68.85 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.49 -46.79 25.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.23 -0.919 . . . . 0.0 109.582 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.497 1.917 0 O-C-N 120.8 -1.188 . . . . 0.0 108.839 179.748 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -102.69 126.36 49.77 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.92 -20.58 66.52 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.662 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.69 -48.33 81.27 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.04 -1.037 . . . . 0.0 108.45 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.77 -31.95 67.02 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.263 -0.898 . . . . 0.0 108.802 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 tp -74.69 -37.35 62.67 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.41 -39.23 86.65 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -73.47 -52.08 14.91 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.605 0.717 . . . . 0.0 109.407 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.855 -1.153 . . . . 0.0 108.484 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.53 -38.57 81.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.17 -28.44 69.12 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -75.91 -46.87 27.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.317 -0.864 . . . . 0.0 109.064 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.494 1.764 0 O-C-N 120.918 -1.114 . . . . 0.0 109.073 179.808 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.75 127.04 53.05 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.266 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.6 -21.28 64.2 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -53.97 -46.24 71.59 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.532 -0.73 . . . . 0.0 109.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.32 -33.23 73.93 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 109.68 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.1 tp -69.11 -34.37 74.97 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.0 -37.19 81.65 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.27 -52.6 11.84 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.534 0.683 . . . . 0.0 109.325 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.57 -25.37 66.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.92 -1.113 . . . . 0.0 108.405 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.12 -39.5 85.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.21 -27.12 68.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -75.18 -47.17 29.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.448 -0.782 . . . . 0.0 109.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 108.842 179.631 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 106.725 -1.584 . . . . 0.0 106.725 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.75 126.24 52.04 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.452 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -67.57 -21.53 65.43 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.739 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 17' ' ' LYS . 3.0 ttmp? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.193 -0.942 . . . . 0.0 109.106 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -69.02 -29.83 68.08 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -70.99 -35.89 72.27 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -59.48 -38.37 80.66 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -74.73 -52.65 10.98 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.445 0.64 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.75 -25.66 65.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.825 -1.172 . . . . 0.0 108.306 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.74 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.41 -27.26 67.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.85 -47.43 21.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.508 -0.745 . . . . 0.0 109.529 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.495 1.802 0 O-C-N 120.912 -1.117 . . . . 0.0 108.951 179.746 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.15 51.89 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.703 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 2.8 mp0 -66.62 -21.37 66.12 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.559 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -57.2 -47.03 82.3 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 109.291 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -68.14 -32.34 72.54 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 121.239 -0.913 . . . . 0.0 109.591 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.53 -36.07 73.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.253 -0.904 . . . . 0.0 108.706 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.65 -37.84 82.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.183 -0.948 . . . . 0.0 108.448 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -74.69 -52.98 10.16 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.602 0.715 . . . . 0.0 109.425 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.14 -25.29 63.74 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.945 -1.097 . . . . 0.0 108.364 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -67.22 -38.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -59.92 -29.25 68.25 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -76.73 -46.94 23.44 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.442 -0.786 . . . . 0.0 109.142 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.497 1.913 0 O-C-N 120.856 -1.152 . . . . 0.0 109.058 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.5 mpt_? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -105.93 126.82 52.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.569 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.06 -24.79 68.07 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.346 -0.941 . . . . 0.0 108.831 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.25 -47.99 79.99 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.892 -1.13 . . . . 0.0 108.635 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -60.22 -31.37 70.11 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.39 -0.819 . . . . 0.0 108.945 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.21 -35.19 63.9 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -37.3 84.5 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.71 -52.23 13.94 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.41 -25.34 67.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.963 -1.086 . . . . 0.0 108.421 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.59 -39.61 86.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.49 -27.17 68.95 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -74.68 -47.31 32.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.33 -0.856 . . . . 0.0 109.372 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 120.991 -1.068 . . . . 0.0 108.662 179.557 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.6 p30 -106.41 126.65 52.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 4.3 mp0 -63.89 -20.87 66.17 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.084 -1.046 . . . . 0.0 108.289 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -54.66 -48.48 72.29 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.268 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.488 ' CD ' HD21 ' A' ' 15' ' ' ASN . 89.8 mt-10 -68.77 -29.89 68.37 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.356 -0.84 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.61 -35.91 75.71 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.34 -38.32 83.44 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.07 -52.43 12.68 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.576 0.703 . . . . 0.0 109.427 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.15 -25.37 65.47 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.979 -1.076 . . . . 0.0 108.375 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.71 -38.18 81.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -60.67 -28.42 68.58 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -76.77 -47.04 22.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.423 -0.798 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.497 1.885 0 O-C-N 121.009 -1.057 . . . . 0.0 108.988 179.736 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.511 HD21 ' CD ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -106.87 126.95 52.97 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.168 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.41 -20.94 65.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -55.3 -47.63 75.31 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.426 -0.796 . . . . 0.0 109.173 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.511 ' CD ' HD21 ' A' ' 15' ' ' ASN . 99.0 mt-10 -66.79 -29.85 69.9 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.621 -0.675 . . . . 0.0 109.761 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.43 -40.2 70.56 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -57.41 -38.13 73.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 108.781 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -74.86 -53.06 9.77 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.747 0.784 . . . . 0.0 109.552 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.05 -25.18 63.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.719 -1.238 . . . . 0.0 108.437 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -67.87 -38.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -56.64 -30.25 63.12 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -77.14 -40.66 44.78 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.565 -0.709 . . . . 0.0 109.433 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.498 1.956 0 O-C-N 120.906 -1.121 . . . . 0.0 110.081 -179.788 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.473 HD21 ' CD ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -104.81 126.58 52.03 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.689 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.71 -20.81 66.54 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.841 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -61.48 -48.47 80.95 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.007 -1.058 . . . . 0.0 108.264 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' CD ' HD21 ' A' ' 15' ' ' ASN . 94.2 mt-10 -58.73 -31.07 67.96 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 121.196 -0.94 . . . . 0.0 108.848 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.38 -38.19 63.23 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.27 83.62 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.79 -52.23 13.8 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.439 0.638 . . . . 0.0 109.657 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.86 -25.29 66.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.836 -1.165 . . . . 0.0 108.462 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.67 -38.99 83.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.13 -27.02 68.08 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -75.66 -47.11 27.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.404 -0.81 . . . . 0.0 109.413 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.494 1.749 0 O-C-N 120.922 -1.111 . . . . 0.0 108.996 179.708 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.8 mpt_? . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -107.02 127.38 53.41 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.437 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.34 -23.26 64.11 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.32 -47.85 68.94 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.17 -33.67 76.3 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.34 -0.85 . . . . 0.0 109.464 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.41 -33.73 74.75 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 20' ' ' ARG . 13.6 ttt-85 -61.87 -36.37 81.06 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.1 -52.24 13.2 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.481 0.657 . . . . 0.0 109.258 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.4 -25.38 67.16 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.957 -1.089 . . . . 0.0 108.343 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.18 -39.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -62.97 -26.77 68.99 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -73.87 -47.38 38.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.319 -0.863 . . . . 0.0 109.287 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 120.955 -1.09 . . . . 0.0 108.401 179.43 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 14' ' ' ARG . 8.9 ttt-85 . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.1 p30 -106.21 127.06 52.95 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.82 -21.32 64.53 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.225 -0.99 . . . . 0.0 108.384 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -54.07 -47.01 72.13 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.466 -0.771 . . . . 0.0 109.173 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.83 -32.41 72.92 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.512 -0.742 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.96 -34.25 73.16 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.15 -36.75 80.62 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -52.46 12.62 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.95 -25.22 66.66 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.013 -1.054 . . . . 0.0 108.532 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -64.53 -39.91 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.96 -26.99 68.53 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -74.96 -47.19 30.74 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.36 -0.837 . . . . 0.0 109.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 120.993 -1.067 . . . . 0.0 108.925 179.768 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.466 HH11 ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.34 52.12 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 3.0 mp0 -63.74 -21.69 66.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.62 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -55.74 -45.08 78.07 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.301 -0.874 . . . . 0.0 108.881 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.393 -0.817 . . . . 0.0 109.201 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 tp -68.53 -35.29 77.25 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.83 -37.34 81.71 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.18 -52.43 12.48 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.506 0.669 . . . . 0.0 109.293 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.77 -25.32 66.43 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.922 -1.111 . . . . 0.0 108.447 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.9 -39.66 86.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.22 -26.84 68.59 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -75.4 -47.21 28.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.421 -0.799 . . . . 0.0 109.53 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.495 1.813 0 O-C-N 120.924 -1.11 . . . . 0.0 108.708 179.71 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.99 127.04 53.1 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.267 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.34 -21.44 64.01 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.85 -47.47 70.96 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.53 -0.731 . . . . 0.0 109.358 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.14 -30.5 69.65 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.441 -0.787 . . . . 0.0 109.848 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.5 tp -71.62 -35.39 70.43 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.005 -1.059 . . . . 0.0 108.167 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.92 -38.74 83.24 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.282 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -74.2 -52.71 11.6 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.495 0.664 . . . . 0.0 109.616 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.15 -25.48 65.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.862 -1.149 . . . . 0.0 108.493 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.58 -39.21 84.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -60.66 -26.78 67.33 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -76.37 -47.13 24.45 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.472 -0.768 . . . . 0.0 109.788 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.495 1.788 0 O-C-N 120.984 -1.073 . . . . 0.0 109.39 -179.819 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 14' ' ' ARG . 2.2 mmt-85 . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.516 HD21 ' CD ' ' A' ' 18' ' ' GLU . 1.6 p30 -106.08 126.94 52.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.39 -20.78 66.35 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.484 -0.76 . . . . 0.0 109.504 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' CD ' HD21 ' A' ' 15' ' ' ASN . 86.4 mt-10 -69.77 -33.52 72.52 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.315 -0.866 . . . . 0.0 109.828 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 tp -69.97 -33.38 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.084 -1.01 . . . . 0.0 108.717 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.56 -37.41 86.05 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.5 -52.61 11.44 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.468 0.651 . . . . 0.0 109.557 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.49 -25.44 66.07 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.918 -1.114 . . . . 0.0 108.389 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.27 -39.19 84.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.01 -26.91 67.94 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -76.52 -47.25 23.33 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 0.0 109.494 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.495 1.818 0 O-C-N 120.918 -1.113 . . . . 0.0 108.9 179.745 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.506 HD21 ' CD ' ' A' ' 18' ' ' GLU . 1.5 p30 -106.78 126.82 52.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.09 -21.19 66.43 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -55.4 -49.82 71.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.593 -0.692 . . . . 0.0 109.416 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' CD ' HD21 ' A' ' 15' ' ' ASN . 88.3 mt-10 -67.39 -29.66 69.23 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.472 -0.768 . . . . 0.0 109.471 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.91 -36.87 72.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.089 -1.007 . . . . 0.0 108.562 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.38 -38.55 84.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.06 -52.37 12.87 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.565 0.698 . . . . 0.0 109.493 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.09 -25.45 65.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.835 -1.166 . . . . 0.0 108.371 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.61 -38.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -60.52 -28.17 68.19 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.58 -47.19 23.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.463 -0.773 . . . . 0.0 109.498 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.961 -1.087 . . . . 0.0 108.956 179.754 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.3 126.85 52.74 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.34 -21.19 65.1 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -46.46 72.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.7 -33.56 75.14 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.532 -0.73 . . . . 0.0 109.723 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.39 -33.61 73.29 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.06 -36.37 81.45 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.12 -52.53 12.29 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.9 -25.63 66.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.021 -1.049 . . . . 0.0 108.301 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.2 -39.97 87.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.53 -26.43 67.93 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -73.41 -48.16 36.04 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.494 1.763 0 O-C-N 120.839 -1.163 . . . . 0.0 108.608 179.263 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -107.11 127.06 53.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.347 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.35 -20.98 64.94 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -46.57 75.64 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.48 -0.763 . . . . 0.0 108.962 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -66.66 -30.05 70.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.518 -0.739 . . . . 0.0 109.803 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.46 -38.74 68.18 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.14 -37.96 78.52 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 122.063 0.935 . . . . 0.0 108.497 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.58 -52.35 12.05 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.402 0.62 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.84 -25.29 66.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.923 -1.111 . . . . 0.0 108.492 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.34 -39.54 85.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.3 -26.79 68.61 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -75.5 -47.27 27.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.493 1.716 0 O-C-N 120.95 -1.094 . . . . 0.0 108.635 179.661 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.11 125.63 49.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.1 -21.49 65.86 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.098 -1.001 . . . . 0.0 108.455 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.77 -48.8 79.03 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.23 -31.48 67.42 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.174 -0.954 . . . . 0.0 108.724 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -74.58 -35.36 63.03 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -61.57 -37.56 84.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -73.52 -52.42 13.65 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.78 -25.2 66.37 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.952 -1.093 . . . . 0.0 108.432 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.86 -39.04 83.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -61.7 -27.3 68.6 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.32 -47.07 24.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.304 -0.873 . . . . 0.0 109.467 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.495 1.81 0 O-C-N 120.956 -1.09 . . . . 0.0 108.669 179.569 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 15' ' ' ASN . 11.4 ptp180 . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -107.01 127.29 53.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.695 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 16.9 mp0 -62.72 -21.26 65.65 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -54.98 -49.09 72.3 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.583 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.67 -29.93 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.305 -0.872 . . . . 0.0 109.46 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.74 -35.97 72.93 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.05 -1.031 . . . . 0.0 108.507 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.35 -38.09 82.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 0.0 108.42 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.67 -53.81 8.6 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.74 -24.6 57.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.874 -1.141 . . . . 0.0 108.566 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.88 -37.38 78.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -31.12 65.56 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.82 -47.43 21.48 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.603 -0.686 . . . . 0.0 109.594 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.907 -1.12 . . . . 0.0 108.859 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.85 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 88.8 mt-30 -66.76 103.19 1.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -1.144 . . . . 0.0 109.394 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -69.86 148.88 48.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -0.919 . . . . 0.0 109.823 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -63.6 120.95 12.75 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.684 -0.635 . . . . 0.0 109.648 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.8 p -118.55 -27.74 5.85 Favored 'General case' 0 N--CA 1.518 2.952 0 O-C-N 121.156 -0.965 . . . . 0.0 111.588 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -96.38 -58.41 2.07 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.26 1.028 . . . . 0.0 108.334 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.495 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 8' ' ' ILE . 0.9 OUTLIER -147.97 125.77 3.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-O 122.22 1.01 . . . . 0.0 108.915 -177.304 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -100.37 128.61 46.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.156 -0.965 . . . . 0.0 110.275 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.95 -20.31 25.57 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 121.378 -0.826 . . . . 0.0 111.175 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -132.91 98.49 4.31 Favored 'General case' 0 N--CA 1.51 2.545 0 O-C-N 121.187 -1.184 . . . . 0.0 109.083 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.5 161.27 13.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.485 -0.76 . . . . 0.0 109.174 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -119.78 133.61 55.54 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.432 0.634 . . . . 0.0 110.218 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -89.22 -39.66 13.38 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.06 126.23 51.96 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.29 -21.12 66.26 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.9 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -57.68 -45.69 85.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.308 -0.87 . . . . 0.0 109.367 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.02 -34.62 73.52 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.219 -0.925 . . . . 0.0 109.777 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.6 tp -68.75 -35.04 76.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.152 -0.967 . . . . 0.0 108.455 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -60.77 -37.58 82.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -74.48 -52.46 11.92 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.451 0.643 . . . . 0.0 109.434 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.43 -25.64 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.961 -1.087 . . . . 0.0 108.297 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.05 -39.34 85.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -61.35 -27.0 68.2 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -76.24 -47.13 25.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.448 -0.782 . . . . 0.0 109.536 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.57 -50.11 75.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.882 -1.136 . . . . 0.0 108.815 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.423 ' H22' ' O ' ' A' ' 7' ' ' NAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.7 64.01 0.06 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.301 -1.117 . . . . 0.0 109.423 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.877 0 N-CA-C 119.35 2.5 . . . . 0.0 119.35 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -69.06 139.56 54.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -1.126 . . . . 0.0 109.574 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -73.62 126.66 30.79 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -0.862 . . . . 0.0 109.174 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -66.75 122.83 18.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.392 -0.818 . . . . 0.0 109.829 -179.172 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -119.4 -25.36 6.08 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 121.269 -0.894 . . . . 0.0 110.944 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -113.24 -50.8 2.85 Favored 'General case' 0 N--CA 1.506 2.37 0 CA-C-O 121.625 0.726 . . . . 0.0 109.717 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.503 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.1 106.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-O 122.337 1.065 . . . . 0.0 109.785 -177.468 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -87.62 138.74 31.21 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.724 -1.235 . . . . 0.0 110.973 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.12 -20.43 3.92 Favored Glycine 0 N--CA 1.498 2.81 0 O-C-N 121.444 -0.785 . . . . 0.0 111.848 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -134.26 98.61 4.15 Favored 'General case' 0 N--CA 1.509 2.521 0 CA-C-N 118.73 1.265 . . . . 0.0 109.83 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.17 160.35 15.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.334 -0.854 . . . . 0.0 109.233 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 42.9 m-85 -120.11 132.86 55.58 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.32 -42.1 96.48 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -106.62 126.87 52.83 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.361 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.22 -21.38 65.09 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -54.38 -46.19 72.99 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.429 -0.794 . . . . 0.0 109.115 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.78 -32.72 73.49 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.499 -0.75 . . . . 0.0 109.737 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.05 -34.4 73.18 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.19 -36.84 80.96 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.07 -52.47 12.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.92 -25.11 66.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.876 -1.14 . . . . 0.0 108.442 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -65.36 -39.34 84.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.57 -26.95 68.85 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.49 -46.79 25.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.23 -0.919 . . . . 0.0 109.582 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.98 -49.71 75.9 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.8 -1.188 . . . . 0.0 108.839 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.444 ' HZ ' ' H9 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.65 66.46 0.04 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.387 -1.067 . . . . 0.0 109.363 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.846 0 N-CA-C 119.366 2.506 . . . . 0.0 119.366 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -67.86 98.61 0.75 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -1.179 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -69.81 148.28 49.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 109.569 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -65.66 118.62 9.82 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.374 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -119.83 -28.2 5.26 Favored 'General case' 0 N--CA 1.518 2.936 0 O-C-N 121.284 -0.885 . . . . 0.0 111.339 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -86.99 -49.49 7.31 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 122.723 1.249 . . . . 0.0 108.119 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.89 102.88 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 122.436 1.112 . . . . 0.0 109.901 -177.514 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -82.66 121.19 26.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.499 -1.376 . . . . 0.0 110.974 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.53 -19.95 50.95 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 121.405 -0.809 . . . . 0.0 112.02 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -134.11 97.93 3.99 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.016 1.408 . . . . 0.0 110.64 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.97 161.27 13.71 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 36.7 m-85 -124.86 133.39 53.1 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 121.279 0.562 . . . . 0.0 110.03 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -63.95 -42.19 97.38 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -102.69 126.36 49.77 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.92 -20.58 66.52 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.662 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.69 -48.33 81.27 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.04 -1.037 . . . . 0.0 108.45 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.77 -31.95 67.02 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.263 -0.898 . . . . 0.0 108.802 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 tp -74.69 -37.35 62.67 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.41 -39.23 86.65 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -73.47 -52.08 14.91 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.605 0.717 . . . . 0.0 109.407 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.855 -1.153 . . . . 0.0 108.484 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.53 -38.57 81.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.17 -28.44 69.12 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -75.91 -46.87 27.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.317 -0.864 . . . . 0.0 109.064 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.6 -48.94 78.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.918 -1.114 . . . . 0.0 109.073 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.425 ' C6 ' ' NZ ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.35 51.16 7.61 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.362 -1.081 . . . . 0.0 109.685 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.857 0 N-CA-C 119.358 2.503 . . . . 0.0 119.358 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -67.71 111.5 4.28 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.165 -1.197 . . . . 0.0 109.074 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.75 147.96 49.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.063 -1.023 . . . . 0.0 109.545 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -65.25 119.18 10.43 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.279 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.4 p -119.16 -27.34 5.7 Favored 'General case' 0 N--CA 1.517 2.912 0 O-C-N 121.247 -0.908 . . . . 0.0 111.293 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -94.19 -49.41 5.75 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 122.459 1.123 . . . . 0.0 108.482 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.17 111.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-O 122.241 1.019 . . . . 0.0 109.211 -177.709 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 137.82 32.05 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.781 -1.199 . . . . 0.0 110.784 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.8 -20.21 4.6 Favored Glycine 0 N--CA 1.497 2.734 0 O-C-N 121.585 -0.697 . . . . 0.0 111.566 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -134.18 98.39 4.11 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 121.158 -1.201 . . . . 0.0 110.102 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.04 160.81 14.75 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 51.4 m-85 -119.06 132.82 56.06 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.241 0.543 . . . . 0.0 109.714 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -64.0 -43.56 95.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.75 127.04 53.05 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.266 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.6 -21.28 64.2 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -53.97 -46.24 71.59 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.532 -0.73 . . . . 0.0 109.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.32 -33.23 73.93 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 109.68 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.1 tp -69.11 -34.37 74.97 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.0 -37.19 81.65 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.27 -52.6 11.84 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.534 0.683 . . . . 0.0 109.325 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.57 -25.37 66.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.92 -1.113 . . . . 0.0 108.405 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.12 -39.5 85.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.21 -27.12 68.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -75.18 -47.17 29.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.448 -0.782 . . . . 0.0 109.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 28' ' ' GLY . 3.0 m-85 -62.68 -48.7 78.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 108.842 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.446 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 26' ' ' PHE . . . -76.59 -53.79 5.31 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 . . . . . 0 N--CA 1.494 1.754 0 O-C-N 121.333 -1.098 . . . . 0.0 109.444 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 1 N--CA 1.529 4.872 0 N-CA-C 119.477 2.551 . . . . 0.0 119.477 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -82.49 98.17 8.79 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.284 -1.127 . . . . 0.0 109.439 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 1' ' ' GLY . 4.2 mp0 -72.78 147.71 45.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.17 -0.956 . . . . 0.0 109.092 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.41 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -67.53 118.44 10.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 109.393 -179.345 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.9 p -120.36 -26.04 5.51 Favored 'General case' 0 N--CA 1.513 2.719 0 O-C-N 121.316 -0.865 . . . . 0.0 110.79 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -119.81 -60.0 1.75 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.52 -0.738 . . . . 0.0 109.045 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.529 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.34 119.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-O 122.154 0.978 . . . . 0.0 108.776 -177.552 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -100.18 130.68 46.34 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.079 -1.013 . . . . 0.0 109.999 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.86 -20.65 27.34 Favored Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -134.39 97.87 3.94 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.216 -1.167 . . . . 0.0 109.355 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.76 160.52 14.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.326 -0.859 . . . . 0.0 108.691 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CD1' HD13 ' A' ' 19' ' ' LEU . 29.9 m-85 -115.74 142.93 46.1 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.434 0.635 . . . . 0.0 110.402 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -89.39 -40.31 12.83 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 106.725 -1.584 . . . . 0.0 106.725 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.75 126.24 52.04 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.452 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -67.57 -21.53 65.43 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.739 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 17' ' ' LYS . 3.0 ttmp? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.193 -0.942 . . . . 0.0 109.106 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -69.02 -29.83 68.08 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 13' ' ' PHE . 12.9 tp -70.99 -35.89 72.27 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -59.48 -38.37 80.66 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -74.73 -52.65 10.98 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.445 0.64 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.75 -25.66 65.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.825 -1.172 . . . . 0.0 108.306 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.74 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.41 -27.26 67.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.85 -47.43 21.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.508 -0.745 . . . . 0.0 109.529 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' C ' ' H ' ' A' ' 28' ' ' GLY . 4.4 m-85 -61.05 -48.64 80.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.912 -1.117 . . . . 0.0 108.951 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.443 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 26' ' ' PHE . . . -87.88 -60.54 1.58 Allowed Glycine 0 N--CA 1.498 2.81 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.362 -1.081 . . . . 0.0 109.91 -179.896 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.812 0 N-CA-C 119.377 2.511 . . . . 0.0 119.377 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -68.93 125.27 26.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -1.143 . . . . 0.0 109.456 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -69.76 150.14 47.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.207 -0.933 . . . . 0.0 109.653 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -63.76 118.68 8.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.704 -0.623 . . . . 0.0 109.73 -178.15 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 p -119.74 -27.59 5.42 Favored 'General case' 0 N--CA 1.516 2.873 0 O-C-N 121.219 -0.926 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -97.56 -50.54 4.46 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-O 122.254 1.026 . . . . 0.0 108.666 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.88 125.8 3.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -177.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -101.2 139.44 36.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.094 -1.004 . . . . 0.0 110.479 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.09 -20.07 2.63 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -133.23 98.72 4.33 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 121.199 -1.177 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.08 160.68 14.18 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' CD1' HD13 ' A' ' 19' ' ' LEU . 37.1 m-85 -118.0 133.64 55.72 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.457 0.646 . . . . 0.0 110.508 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -86.85 -39.83 15.47 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.15 51.89 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.703 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 2.8 mp0 -66.62 -21.37 66.12 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.559 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -57.2 -47.03 82.3 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 109.291 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -68.14 -32.34 72.54 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 121.239 -0.913 . . . . 0.0 109.591 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 tp -70.53 -36.07 73.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.253 -0.904 . . . . 0.0 108.706 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.65 -37.84 82.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.183 -0.948 . . . . 0.0 108.448 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -74.69 -52.98 10.16 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.602 0.715 . . . . 0.0 109.425 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.14 -25.29 63.74 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.945 -1.097 . . . . 0.0 108.364 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -67.22 -38.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -59.92 -29.25 68.25 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -76.73 -46.94 23.44 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.442 -0.786 . . . . 0.0 109.142 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.04 -51.05 71.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.856 -1.152 . . . . 0.0 109.058 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.42 ' C6 ' ' OA ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.28 -44.51 59.33 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.21 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.843 0 N-CA-C 119.446 2.538 . . . . 0.0 119.446 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 6.8 mp0 -66.79 112.61 4.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.261 -1.141 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -69.78 147.63 50.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 109.265 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.26 120.15 12.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.332 -0.855 . . . . 0.0 109.821 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -119.42 -25.79 5.96 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 121.313 -0.867 . . . . 0.0 110.593 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -117.41 -60.47 1.82 Allowed 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.62 -0.675 . . . . 0.0 109.181 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.539 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.53 115.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 CA-C-O 122.244 1.021 . . . . 0.0 109.411 -177.416 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -95.68 123.3 39.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.925 -1.11 . . . . 0.0 110.054 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.2 -20.71 46.31 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 121.362 -0.836 . . . . 0.0 111.191 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -134.23 97.91 3.97 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 121.149 -1.206 . . . . 0.0 109.602 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.71 161.29 13.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.312 -0.867 . . . . 0.0 109.016 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 59.4 m-85 -123.55 132.89 54.01 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.325 0.583 . . . . 0.0 110.014 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.5 mpt_? -64.71 -41.69 95.81 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -105.93 126.82 52.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.569 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.06 -24.79 68.07 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.346 -0.941 . . . . 0.0 108.831 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.25 -47.99 79.99 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.892 -1.13 . . . . 0.0 108.635 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -60.22 -31.37 70.11 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.39 -0.819 . . . . 0.0 108.945 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.21 -35.19 63.9 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -37.3 84.5 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.71 -52.23 13.94 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.41 -25.34 67.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.963 -1.086 . . . . 0.0 108.421 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.59 -39.61 86.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.49 -27.17 68.95 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -74.68 -47.31 32.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.33 -0.856 . . . . 0.0 109.372 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.71 -49.69 76.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.991 -1.068 . . . . 0.0 108.662 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.415 H11A ' C8 ' ' A' ' 7' ' ' NAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 179.74 -60.15 0.08 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.604 -1.399 . . . . 0.0 109.604 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.255 -1.144 . . . . 0.0 109.328 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.744 0 N-CA-C 119.496 2.558 . . . . 0.0 119.496 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 4.5 mp0 -66.8 124.39 22.81 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.258 -1.142 . . . . 0.0 109.356 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -69.91 147.75 49.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 0.0 109.36 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -65.72 119.15 10.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 110.017 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.5 p -120.18 -26.4 5.5 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 121.252 -0.905 . . . . 0.0 110.604 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.532 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -121.36 -61.38 1.54 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.437 -0.789 . . . . 0.0 108.972 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.532 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -146.33 108.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 CA-C-O 122.335 1.064 . . . . 0.0 108.934 -177.575 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 11' ' ' ARG . 36.9 ttpt -89.75 149.25 22.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.764 -1.21 . . . . 0.0 111.0 -178.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.34 -20.57 0.58 Allowed Glycine 0 N--CA 1.494 2.544 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 11' ' ' ARG . 12.4 mtt-85 -134.32 98.69 4.17 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.254 -1.145 . . . . 0.0 109.65 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.27 155.99 18.56 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' A' ' 19' ' ' LEU . 52.2 m-85 -110.47 133.34 53.37 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.189 0.519 . . . . 0.0 110.733 -178.227 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -77.18 -43.07 35.14 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.6 p30 -106.41 126.65 52.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 4.3 mp0 -63.89 -20.87 66.17 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.084 -1.046 . . . . 0.0 108.289 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -54.66 -48.48 72.29 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.268 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.488 ' CD ' HD21 ' A' ' 15' ' ' ASN . 89.8 mt-10 -68.77 -29.89 68.37 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.356 -0.84 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 13' ' ' PHE . 14.3 tp -69.61 -35.91 75.71 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.34 -38.32 83.44 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.07 -52.43 12.68 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.576 0.703 . . . . 0.0 109.427 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.15 -25.37 65.47 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.979 -1.076 . . . . 0.0 108.375 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.71 -38.18 81.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -60.67 -28.42 68.58 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -76.77 -47.04 22.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.423 -0.798 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.64 -49.37 78.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.009 -1.057 . . . . 0.0 108.988 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.417 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.69 -66.23 0.05 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.322 -1.105 . . . . 0.0 109.479 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.757 0 N-CA-C 119.441 2.536 . . . . 0.0 119.441 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -67.34 138.83 57.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -1.169 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -72.33 148.67 45.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.15 -0.969 . . . . 0.0 109.738 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.581 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.47 120.24 11.92 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.734 -0.604 . . . . 0.0 109.53 -178.789 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 p -119.24 -27.54 5.63 Favored 'General case' 0 N--CA 1.517 2.906 0 O-C-N 121.283 -0.886 . . . . 0.0 111.22 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -90.94 -50.95 5.59 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 122.56 1.172 . . . . 0.0 108.394 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.669 ' O ' ' H23' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.8 119.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 122.3 1.048 . . . . 0.0 109.056 -178.237 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -97.99 113.72 25.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.993 -1.067 . . . . 0.0 110.088 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.39 -19.3 54.39 Favored Glycine 0 N--CA 1.503 3.131 0 O-C-N 121.51 -0.744 . . . . 0.0 111.376 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -132.85 98.12 4.22 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 121.128 -1.219 . . . . 0.0 110.056 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.75 161.48 13.62 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 47.6 m-85 -123.22 135.64 54.37 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.287 0.565 . . . . 0.0 110.075 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.24 -43.01 92.74 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.511 HD21 ' CD ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -106.87 126.95 52.97 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.168 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.41 -20.94 65.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -55.3 -47.63 75.31 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.426 -0.796 . . . . 0.0 109.173 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.511 ' CD ' HD21 ' A' ' 15' ' ' ASN . 99.0 mt-10 -66.79 -29.85 69.9 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.621 -0.675 . . . . 0.0 109.761 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.43 -40.2 70.56 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -57.41 -38.13 73.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 108.781 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -74.86 -53.06 9.77 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.747 0.784 . . . . 0.0 109.552 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.05 -25.18 63.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.719 -1.238 . . . . 0.0 108.437 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -67.87 -38.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -56.64 -30.25 63.12 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -77.14 -40.66 44.78 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.565 -0.709 . . . . 0.0 109.433 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.26 -24.9 62.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.906 -1.121 . . . . 0.0 110.081 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.669 ' H23' ' O ' ' A' ' 7' ' ' NAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.41 45.06 0.05 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.452 -1.028 . . . . 0.0 109.538 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.836 0 N-CA-C 119.377 2.511 . . . . 0.0 119.377 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -66.6 143.38 57.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.33 -1.1 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -70.13 148.22 48.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.15 -0.969 . . . . 0.0 109.695 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.57 121.08 13.59 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -179.407 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 p -119.04 -28.26 5.54 Favored 'General case' 0 N--CA 1.516 2.847 0 O-C-N 121.351 -0.843 . . . . 0.0 111.263 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -82.67 -53.64 5.77 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 122.808 1.29 . . . . 0.0 107.938 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.471 ' HA ' ' H13' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -146.82 102.6 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-O 122.555 1.169 . . . . 0.0 109.933 -177.597 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -80.52 118.22 21.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.452 -1.405 . . . . 0.0 111.034 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.11 -19.58 53.85 Favored Glycine 0 N--CA 1.503 3.108 0 O-C-N 121.392 -0.818 . . . . 0.0 112.233 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.79 98.76 4.26 Favored 'General case' 0 N--CA 1.51 2.568 0 CA-C-N 119.183 1.492 . . . . 0.0 110.702 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.66 161.57 13.51 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 35.5 m-85 -127.78 133.54 49.47 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-O 121.312 0.577 . . . . 0.0 110.213 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -64.57 -40.97 96.5 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.473 HD21 ' CD ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -104.81 126.58 52.03 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.689 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' OE1' ' CE2' ' A' ' 4' ' ' TYR . 12.2 mm-40 -64.71 -20.81 66.54 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.841 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -61.48 -48.47 80.95 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.007 -1.058 . . . . 0.0 108.264 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' CD ' HD21 ' A' ' 15' ' ' ASN . 94.2 mt-10 -58.73 -31.07 67.96 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 121.196 -0.94 . . . . 0.0 108.848 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.38 -38.19 63.23 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.27 83.62 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.79 -52.23 13.8 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.439 0.638 . . . . 0.0 109.657 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.86 -25.29 66.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.836 -1.165 . . . . 0.0 108.462 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.67 -38.99 83.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.13 -27.02 68.08 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -75.66 -47.11 27.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.404 -0.81 . . . . 0.0 109.413 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.62 -42.9 98.14 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.922 -1.111 . . . . 0.0 108.996 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.513 ' CG ' ' S ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.16 -44.32 0.04 OUTLIER Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 . . . . . 0 N--CA 1.496 1.859 0 O-C-N 121.493 -1.004 . . . . 0.0 109.254 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.802 0 N-CA-C 119.482 2.553 . . . . 0.0 119.482 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -68.88 98.35 0.93 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -1.177 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -71.15 127.52 32.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -64.62 122.51 17.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.393 -0.817 . . . . 0.0 109.85 -179.276 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -119.33 -25.64 6.04 Favored 'General case' 0 N--CA 1.513 2.677 0 O-C-N 121.306 -0.871 . . . . 0.0 110.971 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -111.18 -47.08 3.23 Favored 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 121.659 0.742 . . . . 0.0 109.571 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.484 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.47 109.86 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 122.239 1.018 . . . . 0.0 109.636 -177.53 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -92.79 137.52 32.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.823 -1.173 . . . . 0.0 110.757 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.55 -20.89 5.72 Favored Glycine 0 N--CA 1.498 2.785 0 O-C-N 121.56 -0.713 . . . . 0.0 111.47 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 11' ' ' ARG . 25.9 mtt-85 -134.49 98.26 4.03 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.088 -1.242 . . . . 0.0 109.649 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.85 160.26 15.15 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.277 -0.889 . . . . 0.0 109.212 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.466 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 41.8 m-85 -120.58 132.77 55.31 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.278 0.561 . . . . 0.0 109.52 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.8 mpt_? -61.42 -43.67 98.47 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -107.02 127.38 53.41 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.437 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.34 -23.26 64.11 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.32 -47.85 68.94 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.17 -33.67 76.3 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.34 -0.85 . . . . 0.0 109.464 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.41 -33.73 74.75 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 20' ' ' ARG . 13.6 ttt-85 -61.87 -36.37 81.06 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.1 -52.24 13.2 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.481 0.657 . . . . 0.0 109.258 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.4 -25.38 67.16 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.957 -1.089 . . . . 0.0 108.343 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.18 -39.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -62.97 -26.77 68.99 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -73.87 -47.38 38.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.319 -0.863 . . . . 0.0 109.287 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.38 -44.06 96.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.955 -1.09 . . . . 0.0 108.401 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.524 ' HZ ' ' H9 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.97 -59.82 0.15 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.302 -1.116 . . . . 0.0 109.406 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.883 0 N-CA-C 119.415 2.526 . . . . 0.0 119.415 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -66.7 106.78 1.93 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -1.099 . . . . 0.0 109.377 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -69.8 149.79 47.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.177 -0.952 . . . . 0.0 109.728 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.61 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -63.75 120.27 11.53 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.767 -0.583 . . . . 0.0 109.567 -178.599 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 p -118.95 -26.14 6.08 Favored 'General case' 0 N--CA 1.514 2.755 0 O-C-N 121.258 -0.901 . . . . 0.0 111.168 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -104.46 -50.37 3.34 Favored 'General case' 0 N--CA 1.505 2.289 0 CA-C-O 122.091 0.948 . . . . 0.0 109.245 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.482 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 8' ' ' ILE . 0.9 OUTLIER -147.56 114.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 CA-C-O 122.124 0.964 . . . . 0.0 109.104 -178.043 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' A' ' 11' ' ' ARG . 50.6 mtpt -97.98 148.54 23.37 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.375 -0.828 . . . . 0.0 110.133 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.76 -21.11 0.78 Allowed Glycine 0 N--CA 1.496 2.672 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 9' ' ' LYS . 25.4 mmm-85 -133.93 134.3 42.43 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.41 161.25 38.15 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 31.9 m-85 -124.77 133.29 53.2 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 121.336 0.588 . . . . 0.0 110.158 -178.809 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 14' ' ' ARG . 8.9 ttt-85 -65.21 -42.12 93.81 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.1 p30 -106.21 127.06 52.95 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.82 -21.32 64.53 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.225 -0.99 . . . . 0.0 108.384 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -54.07 -47.01 72.13 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.466 -0.771 . . . . 0.0 109.173 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.83 -32.41 72.92 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.512 -0.742 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.96 -34.25 73.16 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.15 -36.75 80.62 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -52.46 12.62 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.95 -25.22 66.66 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.013 -1.054 . . . . 0.0 108.532 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -64.53 -39.91 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.96 -26.99 68.53 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -74.96 -47.19 30.74 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.36 -0.837 . . . . 0.0 109.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.49 -49.69 76.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.993 -1.067 . . . . 0.0 108.925 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.4 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.88 45.13 0.05 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.454 -1.027 . . . . 0.0 109.42 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.842 0 N-CA-C 119.421 2.528 . . . . 0.0 119.421 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 10.5 tp-100 -67.35 109.73 3.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -1.177 . . . . 0.0 109.211 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.552 HE21 ' CG2' ' A' ' 5' ' ' THR . 2.3 pm0 -69.68 146.35 51.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.279 -0.888 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -69.78 122.04 18.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.249 -0.907 . . . . 0.0 110.067 -179.001 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.552 ' CG2' HE21 ' A' ' 3' ' ' GLN . 29.5 p -119.78 -25.36 5.91 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 121.368 -0.832 . . . . 0.0 110.749 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -114.67 -56.79 2.34 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.635 -0.666 . . . . 0.0 109.427 -178.277 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.537 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.452 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.18 110.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-O 122.178 0.989 . . . . 0.0 109.464 -177.69 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -92.78 137.34 32.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.827 -1.17 . . . . 0.0 110.558 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.04 -20.92 6.15 Favored Glycine 0 N--CA 1.497 2.764 0 O-C-N 121.598 -0.689 . . . . 0.0 111.435 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -134.48 98.4 4.07 Favored 'General case' 0 N--CA 1.509 2.52 0 O-C-N 121.127 -1.22 . . . . 0.0 109.784 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.49 160.62 15.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.338 -0.851 . . . . 0.0 109.245 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 50.9 m-85 -120.45 132.31 55.16 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.182 0.515 . . . . 0.0 109.642 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.466 HH11 ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -65.17 -41.58 94.53 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 179.074 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.34 52.12 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 3.0 mp0 -63.74 -21.69 66.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.62 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -55.74 -45.08 78.07 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.301 -0.874 . . . . 0.0 108.881 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.393 -0.817 . . . . 0.0 109.201 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 tp -68.53 -35.29 77.25 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.83 -37.34 81.71 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.18 -52.43 12.48 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.506 0.669 . . . . 0.0 109.293 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.77 -25.32 66.43 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.922 -1.111 . . . . 0.0 108.447 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.9 -39.66 86.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.22 -26.84 68.59 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -75.4 -47.21 28.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.421 -0.799 . . . . 0.0 109.53 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' C ' ' H ' ' A' ' 28' ' ' GLY . 3.7 m-85 -59.53 -49.76 76.52 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.924 -1.11 . . . . 0.0 108.708 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.705 ' H11' ' H22' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 26' ' ' PHE . . . -174.71 48.62 0.14 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.391 -1.064 . . . . 0.0 109.538 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.352 2.501 . . . . 0.0 119.352 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.33 108.06 3.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -1.144 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -69.88 148.27 49.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 0.0 109.323 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -66.34 118.14 9.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.495 -0.753 . . . . 0.0 109.16 -179.256 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -119.91 -27.56 5.36 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.254 -0.904 . . . . 0.0 111.263 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -93.89 -49.9 5.6 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 122.314 1.054 . . . . 0.0 108.613 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.14 102.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 CA-C-O 122.355 1.074 . . . . 0.0 109.837 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -83.86 130.1 34.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.471 -1.393 . . . . 0.0 110.983 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.79 -20.31 24.83 Favored Glycine 0 N--CA 1.5 2.954 0 O-C-N 121.466 -0.771 . . . . 0.0 111.955 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -134.21 98.21 4.06 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 118.957 1.378 . . . . 0.0 110.238 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.17 161.04 14.13 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 55.3 m-85 -119.32 133.39 55.76 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -63.53 -43.97 95.58 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.99 127.04 53.1 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.267 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.34 -21.44 64.01 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.85 -47.47 70.96 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.53 -0.731 . . . . 0.0 109.358 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.14 -30.5 69.65 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.441 -0.787 . . . . 0.0 109.848 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.5 tp -71.62 -35.39 70.43 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.005 -1.059 . . . . 0.0 108.167 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.92 -38.74 83.24 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.282 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -74.2 -52.71 11.6 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.495 0.664 . . . . 0.0 109.616 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.15 -25.48 65.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.862 -1.149 . . . . 0.0 108.493 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.58 -39.21 84.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -60.66 -26.78 67.33 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -76.37 -47.13 24.45 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.472 -0.768 . . . . 0.0 109.788 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.81 -50.96 64.67 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.984 -1.073 . . . . 0.0 109.39 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.41 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.84 53.38 0.06 OUTLIER Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.361 -1.082 . . . . 0.0 109.561 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 1 N--CA 1.529 4.866 0 N-CA-C 119.371 2.508 . . . . 0.0 119.371 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.03 104.92 3.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -1.189 . . . . 0.0 109.502 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' H ' ' CD ' ' A' ' 3' ' ' GLN . 17.9 mp0 -70.02 149.13 48.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.122 -0.986 . . . . 0.0 109.421 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.65 119.3 9.62 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.571 -0.706 . . . . 0.0 109.583 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -118.84 -27.76 5.73 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 121.124 -0.985 . . . . 0.0 111.345 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -96.55 -56.57 2.56 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-O 122.248 1.023 . . . . 0.0 108.42 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.496 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 8' ' ' ILE . 0.9 OUTLIER -148.2 127.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 CA-C-O 122.181 0.991 . . . . 0.0 108.823 -177.412 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -102.89 132.86 48.81 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.25 -0.906 . . . . 0.0 110.086 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.86 -20.5 12.15 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -133.58 98.51 4.22 Favored 'General case' 0 N--CA 1.509 2.488 0 O-C-N 121.325 -1.103 . . . . 0.0 109.356 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.34 161.27 13.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.49 -0.756 . . . . 0.0 109.06 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -119.59 133.85 55.48 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.465 0.65 . . . . 0.0 110.444 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 14' ' ' ARG . 2.2 mmt-85 -87.44 -40.37 14.43 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.516 HD21 ' CD ' ' A' ' 18' ' ' GLU . 1.6 p30 -106.08 126.94 52.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.39 -20.78 66.35 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.484 -0.76 . . . . 0.0 109.504 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' CD ' HD21 ' A' ' 15' ' ' ASN . 86.4 mt-10 -69.77 -33.52 72.52 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.315 -0.866 . . . . 0.0 109.828 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 tp -69.97 -33.38 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.084 -1.01 . . . . 0.0 108.717 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.56 -37.41 86.05 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.5 -52.61 11.44 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.468 0.651 . . . . 0.0 109.557 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.49 -25.44 66.07 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.918 -1.114 . . . . 0.0 108.389 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.27 -39.19 84.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.01 -26.91 67.94 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -76.52 -47.25 23.33 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 0.0 109.494 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CD2' ' H21' ' A' ' 27' ' ' DNS . 3.9 m-85 -60.39 -49.72 76.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.918 -1.113 . . . . 0.0 108.9 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.45 ' H21' ' CD2' ' A' ' 26' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.83 -63.56 0.07 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.55 ' N ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.201 -1.176 . . . . 0.0 108.357 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.812 0 N-CA-C 119.416 2.526 . . . . 0.0 119.416 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -67.06 139.36 57.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.225 -1.162 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 5' ' ' THR . 34.9 mt-30 -69.88 149.04 48.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.0 109.611 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.06 119.01 9.34 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 3' ' ' GLN . 5.6 p -119.43 -28.61 5.32 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 121.299 -0.876 . . . . 0.0 111.144 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -87.11 -50.16 6.81 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 122.779 1.276 . . . . 0.0 108.009 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.23 116.72 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-O 122.285 1.041 . . . . 0.0 108.779 -177.963 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -94.32 137.92 32.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.793 -1.192 . . . . 0.0 110.387 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.7 -20.07 4.62 Favored Glycine 0 N--CA 1.496 2.696 0 O-C-N 121.57 -0.706 . . . . 0.0 111.351 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -134.04 98.48 4.15 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 121.209 -1.171 . . . . 0.0 110.134 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.25 160.72 14.11 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CD1' HD13 ' A' ' 19' ' ' LEU . 36.2 m-85 -116.8 135.18 53.95 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.419 0.628 . . . . 0.0 110.639 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.97 -42.77 23.3 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.506 HD21 ' CD ' ' A' ' 18' ' ' GLU . 1.5 p30 -106.78 126.82 52.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.09 -21.19 66.43 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -55.4 -49.82 71.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.593 -0.692 . . . . 0.0 109.416 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' CD ' HD21 ' A' ' 15' ' ' ASN . 88.3 mt-10 -67.39 -29.66 69.23 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.472 -0.768 . . . . 0.0 109.471 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 tp -70.91 -36.87 72.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.089 -1.007 . . . . 0.0 108.562 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.38 -38.55 84.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.06 -52.37 12.87 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.565 0.698 . . . . 0.0 109.493 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.09 -25.45 65.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.835 -1.166 . . . . 0.0 108.371 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.61 -38.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -60.52 -28.17 68.19 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.58 -47.19 23.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.463 -0.773 . . . . 0.0 109.498 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.72 -48.65 79.8 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.961 -1.087 . . . . 0.0 108.956 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.699 ' H11' ' H22' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.12 56.53 0.09 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.763 ' HE ' ' H ' ' A' ' 29' ' ' ARG . 2.1 mmp_? . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.313 -1.11 . . . . 0.0 109.818 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.416 2.526 . . . . 0.0 119.416 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.17 136.11 54.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.203 -1.175 . . . . 0.0 109.461 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -69.88 142.62 52.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -64.32 124.13 20.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.478 -0.764 . . . . 0.0 109.953 -179.068 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -119.52 -25.37 6.02 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.257 -0.902 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.505 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -113.73 -50.36 2.84 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.541 0.686 . . . . 0.0 109.679 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.505 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.37 110.91 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-O 122.206 1.003 . . . . 0.0 109.337 -177.555 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -94.59 143.26 26.57 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.741 -1.224 . . . . 0.0 110.462 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.48 -21.06 1.98 Allowed Glycine 0 N--CA 1.495 2.605 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 11' ' ' ARG . 19.2 mtt-85 -134.98 98.56 4.04 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.144 -1.21 . . . . 0.0 109.82 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.32 160.28 15.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.36 -0.837 . . . . 0.0 108.897 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 42.2 m-85 -118.9 132.95 56.12 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.21 -41.78 94.14 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.3 126.85 52.74 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.34 -21.19 65.1 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -46.46 72.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.7 -33.56 75.14 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.532 -0.73 . . . . 0.0 109.723 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.39 -33.61 73.29 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.06 -36.37 81.45 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.12 -52.53 12.29 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.9 -25.63 66.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.021 -1.049 . . . . 0.0 108.301 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.2 -39.97 87.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.53 -26.43 67.93 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -73.41 -48.16 36.04 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.29 -47.77 80.9 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.839 -1.163 . . . . 0.0 108.608 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.484 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.51 -51.91 0.46 Allowed Glycine 0 N--CA 1.496 2.697 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 29' ' ' ARG . 25.1 mtt-85 . . . . . 0 N--CA 1.497 1.877 0 O-C-N 121.482 -1.011 . . . . 0.0 109.451 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.883 0 N-CA-C 119.394 2.517 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.539 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.7 OUTLIER -66.6 134.55 52.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.242 -1.152 . . . . 0.0 109.697 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -78.96 148.75 32.49 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.189 -0.945 . . . . 0.0 109.718 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.37 124.05 20.77 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.209 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 p -118.88 -28.31 5.59 Favored 'General case' 0 N--CA 1.515 2.813 0 O-C-N 121.389 -0.819 . . . . 0.0 111.097 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -86.69 -52.32 5.6 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-O 122.83 1.3 . . . . 0.0 107.904 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.447 ' HA ' ' H13' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.94 134.28 12.59 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 CA-C-O 122.346 1.069 . . . . 0.0 108.436 -178.055 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -80.59 105.06 11.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.189 -0.944 . . . . 0.0 111.486 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.4 -20.73 0.58 Allowed Glycine 0 N--CA 1.496 2.689 0 O-C-N 121.391 -0.818 . . . . 0.0 112.004 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -92.47 98.72 11.64 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.796 -1.414 . . . . 0.0 108.478 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.7 161.28 15.02 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.26 -0.9 . . . . 0.0 109.042 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 35.4 m-85 -132.68 133.73 43.92 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.356 0.598 . . . . 0.0 109.777 -178.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -61.66 -42.93 99.59 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -107.11 127.06 53.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.347 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.35 -20.98 64.94 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -46.57 75.64 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.48 -0.763 . . . . 0.0 108.962 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -66.66 -30.05 70.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.518 -0.739 . . . . 0.0 109.803 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.46 -38.74 68.18 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.14 -37.96 78.52 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 122.063 0.935 . . . . 0.0 108.497 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.58 -52.35 12.05 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.402 0.62 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.84 -25.29 66.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.923 -1.111 . . . . 0.0 108.492 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.34 -39.54 85.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.3 -26.79 68.61 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -75.5 -47.27 27.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.4 -49.31 78.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.95 -1.094 . . . . 0.0 108.635 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.447 ' H13' ' HA ' ' A' ' 7' ' ' NAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.03 59.81 0.13 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 . . . . . 0 N--CA 1.505 2.301 0 CA-C-O 117.928 -1.034 . . . . 0.0 108.923 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.863 0 N-CA-C 119.479 2.552 . . . . 0.0 119.479 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -66.88 119.61 12.18 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -1.121 . . . . 0.0 109.435 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.75 149.36 48.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.589 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.35 118.96 9.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.623 -0.673 . . . . 0.0 109.685 -178.512 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -119.35 -27.1 5.68 Favored 'General case' 0 N--CA 1.517 2.886 0 O-C-N 121.288 -0.883 . . . . 0.0 110.986 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -98.57 -49.27 4.69 Favored 'General case' 0 N--CA 1.503 2.178 0 CA-C-O 122.308 1.051 . . . . 0.0 108.651 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.1 pp -147.16 113.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-O 122.297 1.046 . . . . 0.0 108.845 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -92.74 132.1 37.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.761 -1.212 . . . . 0.0 110.611 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.54 -20.12 12.48 Favored Glycine 0 N--CA 1.497 2.748 0 O-C-N 121.488 -0.758 . . . . 0.0 111.626 178.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -134.02 98.32 4.11 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 118.747 1.274 . . . . 0.0 110.054 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.83 161.44 13.74 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.497 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 43.7 m-85 -125.86 132.77 52.12 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 121.364 0.602 . . . . 0.0 110.44 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -69.71 -36.62 76.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.11 125.63 49.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.1 -21.49 65.86 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.098 -1.001 . . . . 0.0 108.455 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.77 -48.8 79.03 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.23 -31.48 67.42 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.174 -0.954 . . . . 0.0 108.724 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -74.58 -35.36 63.03 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -61.57 -37.56 84.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -73.52 -52.42 13.65 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.78 -25.2 66.37 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.952 -1.093 . . . . 0.0 108.432 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.86 -39.04 83.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -61.7 -27.3 68.6 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.32 -47.07 24.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.304 -0.873 . . . . 0.0 109.467 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.26 -49.08 79.03 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.956 -1.09 . . . . 0.0 108.669 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.436 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.6 -54.38 5.5 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.221 -1.551 . . . . 0.0 109.221 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.083 0 O-C-N 121.386 -1.067 . . . . 0.0 108.335 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.347 2.499 . . . . 0.0 119.347 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' NE2' ' H5 ' ' A' ' 7' ' ' NAL . 53.9 tt0 -67.58 115.4 7.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -1.173 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -69.86 140.89 53.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.152 -0.967 . . . . 0.0 109.505 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -67.42 119.11 11.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.837 . . . . 0.0 109.673 -179.074 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 p -120.06 -26.18 5.6 Favored 'General case' 0 N--CA 1.511 2.619 0 O-C-N 121.453 -0.779 . . . . 0.0 110.447 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -120.98 -61.31 1.57 Allowed 'General case' 0 N--CA 1.505 2.276 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' NAL . . . . . 0.519 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.06 115.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-O 122.177 0.989 . . . . 0.0 109.227 -177.22 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -96.32 138.53 33.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.985 -1.072 . . . . 0.0 110.243 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.99 -20.83 6.19 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -134.13 98.21 4.07 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.202 -1.175 . . . . 0.0 109.253 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.63 160.45 14.34 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.366 -0.833 . . . . 0.0 109.079 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' CD1' HD13 ' A' ' 19' ' ' LEU . 38.6 m-85 -116.09 133.83 55.6 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 121.399 0.619 . . . . 0.0 110.703 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 15' ' ' ASN . 11.4 ptp180 -80.16 -43.47 21.54 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -107.01 127.29 53.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.695 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 16.9 mp0 -62.72 -21.26 65.65 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -54.98 -49.09 72.3 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.583 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.67 -29.93 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.305 -0.872 . . . . 0.0 109.46 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 13' ' ' PHE . 11.9 tp -70.74 -35.97 72.93 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.05 -1.031 . . . . 0.0 108.507 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.35 -38.09 82.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 0.0 108.42 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.67 -53.81 8.6 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.74 -24.6 57.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.874 -1.141 . . . . 0.0 108.566 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.88 -37.38 78.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -31.12 65.56 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.82 -47.43 21.48 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.603 -0.686 . . . . 0.0 109.594 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CD2' ' H21' ' A' ' 27' ' ' DNS . 3.9 m-85 -59.07 -49.56 77.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.907 -1.12 . . . . 0.0 108.859 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' DNS . . . . . 0.444 ' H21' ' CD2' ' A' ' 26' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.48 -53.03 0.14 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 29' ' ' ARG . 2.0 mmt-85 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.293 -1.122 . . . . 0.0 109.368 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.498 1.959 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.06 126.23 51.96 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.29 -21.12 66.26 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.9 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -57.68 -45.69 85.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.308 -0.87 . . . . 0.0 109.367 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.02 -34.62 73.52 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.219 -0.925 . . . . 0.0 109.777 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.6 tp -68.75 -35.04 76.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.152 -0.967 . . . . 0.0 108.455 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -60.77 -37.58 82.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -74.48 -52.46 11.92 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.451 0.643 . . . . 0.0 109.434 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.43 -25.64 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.961 -1.087 . . . . 0.0 108.297 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.05 -39.34 85.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -61.35 -27.0 68.2 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -76.24 -47.13 25.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.448 -0.782 . . . . 0.0 109.536 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.495 1.811 0 O-C-N 120.882 -1.136 . . . . 0.0 108.815 179.771 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -106.62 126.87 52.83 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.361 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.22 -21.38 65.09 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -54.38 -46.19 72.99 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.429 -0.794 . . . . 0.0 109.115 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.78 -32.72 73.49 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.499 -0.75 . . . . 0.0 109.737 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.05 -34.4 73.18 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.19 -36.84 80.96 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.07 -52.47 12.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.92 -25.11 66.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.876 -1.14 . . . . 0.0 108.442 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -65.36 -39.34 84.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.57 -26.95 68.85 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.49 -46.79 25.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.23 -0.919 . . . . 0.0 109.582 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.497 1.917 0 O-C-N 120.8 -1.188 . . . . 0.0 108.839 179.748 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 . . . . . 0 N--CA 1.494 1.727 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -102.69 126.36 49.77 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.92 -20.58 66.52 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.662 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.69 -48.33 81.27 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.04 -1.037 . . . . 0.0 108.45 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.77 -31.95 67.02 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.263 -0.898 . . . . 0.0 108.802 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 tp -74.69 -37.35 62.67 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.41 -39.23 86.65 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -73.47 -52.08 14.91 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.605 0.717 . . . . 0.0 109.407 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.855 -1.153 . . . . 0.0 108.484 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.53 -38.57 81.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.17 -28.44 69.12 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -75.91 -46.87 27.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.317 -0.864 . . . . 0.0 109.064 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.494 1.764 0 O-C-N 120.918 -1.114 . . . . 0.0 109.073 179.808 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.75 127.04 53.05 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.6 -21.28 64.2 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -53.97 -46.24 71.59 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.532 -0.73 . . . . 0.0 109.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.32 -33.23 73.93 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 109.68 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.1 tp -69.11 -34.37 74.97 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.0 -37.19 81.65 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.27 -52.6 11.84 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.534 0.683 . . . . 0.0 109.325 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.57 -25.37 66.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.92 -1.113 . . . . 0.0 108.405 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.12 -39.5 85.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.21 -27.12 68.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -75.18 -47.17 29.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.448 -0.782 . . . . 0.0 109.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 108.842 179.631 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 106.725 -1.584 . . . . 0.0 106.725 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.75 126.24 52.04 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.452 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -67.57 -21.53 65.43 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.739 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 17' ' ' LYS . 3.0 ttmp? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.193 -0.942 . . . . 0.0 109.106 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -69.02 -29.83 68.08 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.9 tp -70.99 -35.89 72.27 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -59.48 -38.37 80.66 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -74.73 -52.65 10.98 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.445 0.64 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.75 -25.66 65.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.825 -1.172 . . . . 0.0 108.306 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.74 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.41 -27.26 67.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.85 -47.43 21.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.508 -0.745 . . . . 0.0 109.529 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 . . . . . 0 N--CA 1.495 1.802 0 O-C-N 120.912 -1.117 . . . . 0.0 108.951 179.746 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 . . . . . 0 N--CA 1.494 1.749 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.15 51.89 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 2.8 mp0 -66.62 -21.37 66.12 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.559 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -57.2 -47.03 82.3 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 109.291 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -68.14 -32.34 72.54 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 121.239 -0.913 . . . . 0.0 109.591 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.53 -36.07 73.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.253 -0.904 . . . . 0.0 108.706 179.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.65 -37.84 82.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.183 -0.948 . . . . 0.0 108.448 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -74.69 -52.98 10.16 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.602 0.715 . . . . 0.0 109.425 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.14 -25.29 63.74 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.945 -1.097 . . . . 0.0 108.364 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -67.22 -38.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -59.92 -29.25 68.25 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -76.73 -46.94 23.44 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.442 -0.786 . . . . 0.0 109.142 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.497 1.913 0 O-C-N 120.856 -1.152 . . . . 0.0 109.058 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.5 mpt_? . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -105.93 126.82 52.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.06 -24.79 68.07 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.346 -0.941 . . . . 0.0 108.831 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.25 -47.99 79.99 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.892 -1.13 . . . . 0.0 108.635 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -60.22 -31.37 70.11 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.39 -0.819 . . . . 0.0 108.945 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.21 -35.19 63.9 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -37.3 84.5 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.71 -52.23 13.94 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.41 -25.34 67.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.963 -1.086 . . . . 0.0 108.421 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.59 -39.61 86.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.49 -27.17 68.95 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -74.68 -47.31 32.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.33 -0.856 . . . . 0.0 109.372 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 . . . . . 0 N--CA 1.492 1.66 0 O-C-N 120.991 -1.068 . . . . 0.0 108.662 179.557 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 . . . . . 0 N--CA 1.495 1.821 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.6 p30 -106.41 126.65 52.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 4.3 mp0 -63.89 -20.87 66.17 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.084 -1.046 . . . . 0.0 108.289 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -54.66 -48.48 72.29 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.268 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.488 ' CD ' HD21 ' A' ' 15' ' ' ASN . 89.8 mt-10 -68.77 -29.89 68.37 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.356 -0.84 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.3 tp -69.61 -35.91 75.71 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.34 -38.32 83.44 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.07 -52.43 12.68 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.576 0.703 . . . . 0.0 109.427 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.15 -25.37 65.47 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.979 -1.076 . . . . 0.0 108.375 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.71 -38.18 81.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -60.67 -28.42 68.58 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -76.77 -47.04 22.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.423 -0.798 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 . . . . . 0 N--CA 1.497 1.885 0 O-C-N 121.009 -1.057 . . . . 0.0 108.988 179.736 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.511 HD21 ' CD ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -106.87 126.95 52.97 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.168 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.41 -20.94 65.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -55.3 -47.63 75.31 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.426 -0.796 . . . . 0.0 109.173 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.511 ' CD ' HD21 ' A' ' 15' ' ' ASN . 99.0 mt-10 -66.79 -29.85 69.9 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.621 -0.675 . . . . 0.0 109.761 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.43 -40.2 70.56 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -57.41 -38.13 73.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 108.781 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -74.86 -53.06 9.77 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.747 0.784 . . . . 0.0 109.552 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.05 -25.18 63.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.719 -1.238 . . . . 0.0 108.437 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -67.87 -38.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -56.64 -30.25 63.12 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -77.14 -40.66 44.78 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.565 -0.709 . . . . 0.0 109.433 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.498 1.956 0 O-C-N 120.906 -1.121 . . . . 0.0 110.081 -179.788 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 . . . . . 0 N--CA 1.495 1.79 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.473 HD21 ' CD ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -104.81 126.58 52.03 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 12.2 mm-40 -64.71 -20.81 66.54 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.841 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -61.48 -48.47 80.95 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.007 -1.058 . . . . 0.0 108.264 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.473 ' CD ' HD21 ' A' ' 15' ' ' ASN . 94.2 mt-10 -58.73 -31.07 67.96 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 121.196 -0.94 . . . . 0.0 108.848 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.38 -38.19 63.23 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.27 83.62 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.79 -52.23 13.8 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.439 0.638 . . . . 0.0 109.657 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.86 -25.29 66.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.836 -1.165 . . . . 0.0 108.462 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.67 -38.99 83.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.13 -27.02 68.08 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -75.66 -47.11 27.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.404 -0.81 . . . . 0.0 109.413 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 . . . . . 0 N--CA 1.494 1.749 0 O-C-N 120.922 -1.111 . . . . 0.0 108.996 179.708 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.446 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.8 mpt_? . . . . . 0 N--CA 1.492 1.648 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -107.02 127.38 53.41 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.437 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.34 -23.26 64.11 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.32 -47.85 68.94 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.17 -33.67 76.3 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.34 -0.85 . . . . 0.0 109.464 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.41 -33.73 74.75 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 20' ' ' ARG . 13.6 ttt-85 -61.87 -36.37 81.06 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.1 -52.24 13.2 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.481 0.657 . . . . 0.0 109.258 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.4 -25.38 67.16 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.957 -1.089 . . . . 0.0 108.343 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.18 -39.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -62.97 -26.77 68.99 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -73.87 -47.38 38.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.319 -0.863 . . . . 0.0 109.287 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 N--CA 1.493 1.71 0 O-C-N 120.955 -1.09 . . . . 0.0 108.401 179.43 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 14' ' ' ARG . 8.9 ttt-85 . . . . . 0 N--CA 1.494 1.726 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.1 p30 -106.21 127.06 52.95 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.82 -21.32 64.53 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.225 -0.99 . . . . 0.0 108.384 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -54.07 -47.01 72.13 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.466 -0.771 . . . . 0.0 109.173 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.83 -32.41 72.92 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.512 -0.742 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.96 -34.25 73.16 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.15 -36.75 80.62 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -52.46 12.62 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.95 -25.22 66.66 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.013 -1.054 . . . . 0.0 108.532 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -64.53 -39.91 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.96 -26.99 68.53 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -74.96 -47.19 30.74 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.36 -0.837 . . . . 0.0 109.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 . . . . . 0 N--CA 1.494 1.737 0 O-C-N 120.993 -1.067 . . . . 0.0 108.925 179.768 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.466 HH11 ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.34 52.12 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.446 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 3.0 mp0 -63.74 -21.69 66.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.62 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -55.74 -45.08 78.07 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.301 -0.874 . . . . 0.0 108.881 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.393 -0.817 . . . . 0.0 109.201 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 tp -68.53 -35.29 77.25 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.83 -37.34 81.71 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.18 -52.43 12.48 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.506 0.669 . . . . 0.0 109.293 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.77 -25.32 66.43 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.922 -1.111 . . . . 0.0 108.447 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.9 -39.66 86.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.22 -26.84 68.59 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -75.4 -47.21 28.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.421 -0.799 . . . . 0.0 109.53 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.495 1.813 0 O-C-N 120.924 -1.11 . . . . 0.0 108.708 179.71 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 . . . . . 0 N--CA 1.493 1.683 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.99 127.04 53.1 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.34 -21.44 64.01 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.85 -47.47 70.96 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.53 -0.731 . . . . 0.0 109.358 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.14 -30.5 69.65 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.441 -0.787 . . . . 0.0 109.848 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.5 tp -71.62 -35.39 70.43 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.005 -1.059 . . . . 0.0 108.167 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.92 -38.74 83.24 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -74.2 -52.71 11.6 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.495 0.664 . . . . 0.0 109.616 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.15 -25.48 65.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.862 -1.149 . . . . 0.0 108.493 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.58 -39.21 84.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -60.66 -26.78 67.33 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -76.37 -47.13 24.45 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.472 -0.768 . . . . 0.0 109.788 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 . . . . . 0 N--CA 1.495 1.788 0 O-C-N 120.984 -1.073 . . . . 0.0 109.39 -179.819 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 14' ' ' ARG . 2.2 mmt-85 . . . . . 0 N--CA 1.494 1.755 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.516 HD21 ' CD ' ' A' ' 18' ' ' GLU . 1.6 p30 -106.08 126.94 52.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.39 -20.78 66.35 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.484 -0.76 . . . . 0.0 109.504 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' CD ' HD21 ' A' ' 15' ' ' ASN . 86.4 mt-10 -69.77 -33.52 72.52 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.315 -0.866 . . . . 0.0 109.828 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 tp -69.97 -33.38 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.084 -1.01 . . . . 0.0 108.717 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.56 -37.41 86.05 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.5 -52.61 11.44 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.468 0.651 . . . . 0.0 109.557 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.49 -25.44 66.07 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.918 -1.114 . . . . 0.0 108.389 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.27 -39.19 84.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.01 -26.91 67.94 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -76.52 -47.25 23.33 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 0.0 109.494 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.495 1.818 0 O-C-N 120.918 -1.113 . . . . 0.0 108.9 179.745 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.506 HD21 ' CD ' ' A' ' 18' ' ' GLU . 1.5 p30 -106.78 126.82 52.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.09 -21.19 66.43 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -55.4 -49.82 71.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.593 -0.692 . . . . 0.0 109.416 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.506 ' CD ' HD21 ' A' ' 15' ' ' ASN . 88.3 mt-10 -67.39 -29.66 69.23 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.472 -0.768 . . . . 0.0 109.471 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.8 tp -70.91 -36.87 72.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.089 -1.007 . . . . 0.0 108.562 179.546 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.38 -38.55 84.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.06 -52.37 12.87 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.565 0.698 . . . . 0.0 109.493 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.09 -25.45 65.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.835 -1.166 . . . . 0.0 108.371 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.61 -38.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -60.52 -28.17 68.19 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.58 -47.19 23.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.463 -0.773 . . . . 0.0 109.498 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.961 -1.087 . . . . 0.0 108.956 179.754 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.3 126.85 52.74 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.34 -21.19 65.1 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -46.46 72.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.7 -33.56 75.14 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.532 -0.73 . . . . 0.0 109.723 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.39 -33.61 73.29 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.06 -36.37 81.45 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.12 -52.53 12.29 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.9 -25.63 66.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.021 -1.049 . . . . 0.0 108.301 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.2 -39.97 87.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.53 -26.43 67.93 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -73.41 -48.16 36.04 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 . . . . . 0 N--CA 1.494 1.763 0 O-C-N 120.839 -1.163 . . . . 0.0 108.608 179.263 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 . . . . . 0 N--CA 1.496 1.841 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -107.11 127.06 53.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.347 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.35 -20.98 64.94 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -46.57 75.64 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.48 -0.763 . . . . 0.0 108.962 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -66.66 -30.05 70.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.518 -0.739 . . . . 0.0 109.803 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.46 -38.74 68.18 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.14 -37.96 78.52 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 122.063 0.935 . . . . 0.0 108.497 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.58 -52.35 12.05 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.402 0.62 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.84 -25.29 66.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.923 -1.111 . . . . 0.0 108.492 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.34 -39.54 85.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.3 -26.79 68.61 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -75.5 -47.27 27.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.493 1.716 0 O-C-N 120.95 -1.094 . . . . 0.0 108.635 179.661 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 N--CA 1.494 1.75 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.11 125.63 49.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.1 -21.49 65.86 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.098 -1.001 . . . . 0.0 108.455 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.77 -48.8 79.03 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.23 -31.48 67.42 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.174 -0.954 . . . . 0.0 108.724 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -74.58 -35.36 63.03 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -61.57 -37.56 84.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -73.52 -52.42 13.65 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.78 -25.2 66.37 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.952 -1.093 . . . . 0.0 108.432 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.86 -39.04 83.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -61.7 -27.3 68.6 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.32 -47.07 24.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.304 -0.873 . . . . 0.0 109.467 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 . . . . . 0 N--CA 1.495 1.81 0 O-C-N 120.956 -1.09 . . . . 0.0 108.669 179.569 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 15' ' ' ASN . 11.4 ptp180 . . . . . 0 N--CA 1.495 1.788 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -107.01 127.29 53.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 16.9 mp0 -62.72 -21.26 65.65 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -54.98 -49.09 72.3 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.583 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.67 -29.93 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.305 -0.872 . . . . 0.0 109.46 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.9 tp -70.74 -35.97 72.93 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.05 -1.031 . . . . 0.0 108.507 179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.35 -38.09 82.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 0.0 108.42 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.67 -53.81 8.6 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.74 -24.6 57.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.874 -1.141 . . . . 0.0 108.566 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.88 -37.38 78.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -31.12 65.56 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.82 -47.43 21.48 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.603 -0.686 . . . . 0.0 109.594 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 . . . . . 0 N--CA 1.496 1.848 0 O-C-N 120.907 -1.12 . . . . 0.0 108.859 179.84 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.85 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 22.8 mt-30 -66.76 103.19 1.05 Allowed 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.256 -1.144 . . . . 0.0 109.394 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.3 pt20 -69.86 148.88 48.49 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.229 -0.919 . . . . 0.0 109.823 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -63.6 120.95 12.75 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.684 -0.635 . . . . 0.0 109.648 -179.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 13.8 p -118.55 -27.74 5.85 Favored 'General case' 0 N--CA 1.518 2.952 0 O-C-N 121.156 -0.965 . . . . 0.0 111.588 -179.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.495 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -96.38 -58.41 2.07 Favored 'General case' 0 N--CA 1.504 2.238 0 CA-C-O 122.26 1.028 . . . . 0.0 108.334 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.495 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.516 HD12 ' O ' ' A' ' 8' ' ' ILE . 0.9 OUTLIER -147.97 125.77 3.31 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.76 0 CA-C-O 122.22 1.01 . . . . 0.0 108.915 -177.304 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -100.37 128.61 46.39 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.156 -0.965 . . . . 0.0 110.275 -179.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.95 -20.31 25.57 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 121.378 -0.826 . . . . 0.0 111.175 178.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 23.5 mmm180 -132.91 98.49 4.31 Favored 'General case' 0 N--CA 1.51 2.545 0 O-C-N 121.187 -1.184 . . . . 0.0 109.083 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.5 161.27 13.71 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.485 -0.76 . . . . 0.0 109.174 179.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -119.78 133.61 55.54 Favored 'General case' 0 N--CA 1.497 1.889 0 CA-C-O 121.432 0.634 . . . . 0.0 110.218 -178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -89.22 -39.66 13.38 Favored 'General case' 0 N--CA 1.498 1.959 0 N-CA-C 107.368 -1.345 . . . . 0.0 107.368 178.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.488 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.06 126.23 51.96 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 178.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -66.29 -21.12 66.26 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.39 -0.924 . . . . 0.0 108.9 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 6.1 ttpm? -57.68 -45.69 85.29 Favored 'General case' 0 C--N 1.305 -1.366 0 O-C-N 121.308 -0.87 . . . . 0.0 109.367 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -70.02 -34.62 73.52 Favored 'General case' 0 C--N 1.309 -1.162 0 O-C-N 121.219 -0.925 . . . . 0.0 109.777 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 32.6 tp -68.75 -35.04 76.59 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.152 -0.967 . . . . 0.0 108.455 179.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.4 ttt180 -60.77 -37.58 82.36 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 179.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -74.48 -52.46 11.92 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.451 0.643 . . . . 0.0 109.434 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.43 -25.64 66.13 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 120.961 -1.087 . . . . 0.0 108.297 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.05 -39.34 85.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.653 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mt-10 -61.35 -27.0 68.2 Favored 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.325 -0.991 . . . . 0.0 108.325 179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.0 tttp -76.24 -47.13 25.0 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.448 -0.782 . . . . 0.0 109.536 179.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -59.57 -50.11 75.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.882 -1.136 . . . . 0.0 108.815 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.423 ' H22' ' O ' ' A' ' 7' ' ' NAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 176.7 64.01 0.06 OUTLIER Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.43 -1.468 . . . . 0.0 109.43 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.7 ptm180 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.301 -1.117 . . . . 0.0 109.423 -179.898 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.877 0 N-CA-C 119.35 2.5 . . . . 0.0 119.35 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -69.06 139.56 54.87 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.286 -1.126 . . . . 0.0 109.574 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 27.9 mm100 -73.62 126.66 30.79 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.32 -0.862 . . . . 0.0 109.174 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.526 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -66.75 122.83 18.53 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.392 -0.818 . . . . 0.0 109.829 -179.172 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.8 p -119.4 -25.36 6.08 Favored 'General case' 0 N--CA 1.51 2.548 0 O-C-N 121.269 -0.894 . . . . 0.0 110.944 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.503 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -113.24 -50.8 2.85 Favored 'General case' 0 N--CA 1.506 2.37 0 CA-C-O 121.625 0.726 . . . . 0.0 109.717 -178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.503 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.407 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.1 106.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.647 0 CA-C-O 122.337 1.065 . . . . 0.0 109.785 -177.468 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.5 pttp -87.62 138.74 31.21 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.724 -1.235 . . . . 0.0 110.973 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.12 -20.43 3.92 Favored Glycine 0 N--CA 1.498 2.81 0 O-C-N 121.444 -0.785 . . . . 0.0 111.848 177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 56.1 mtp180 -134.26 98.61 4.15 Favored 'General case' 0 N--CA 1.509 2.521 0 CA-C-N 118.73 1.265 . . . . 0.0 109.83 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.17 160.35 15.14 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.334 -0.854 . . . . 0.0 109.233 179.395 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 42.9 m-85 -120.11 132.86 55.58 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 -179.36 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.2 mtt180 -64.32 -42.1 96.48 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -106.62 126.87 52.83 Favored 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 108.436 -0.95 . . . . 0.0 108.436 178.361 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -62.22 -21.38 65.09 Favored 'General case' 0 C--N 1.298 -1.648 0 N-CA-C 108.163 -1.051 . . . . 0.0 108.163 178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.4 ttmm -54.38 -46.19 72.99 Favored 'General case' 0 C--N 1.307 -1.255 0 O-C-N 121.429 -0.794 . . . . 0.0 109.115 179.204 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.78 -32.72 73.49 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.499 -0.75 . . . . 0.0 109.737 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.5 tp -70.05 -34.4 73.18 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -61.19 -36.84 80.96 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.07 -52.47 12.55 Favored 'General case' 0 C--N 1.298 -1.635 0 CA-C-O 121.553 0.692 . . . . 0.0 109.201 179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.92 -25.11 66.52 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 120.876 -1.14 . . . . 0.0 108.442 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -65.36 -39.34 84.98 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 178.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -62.57 -26.95 68.85 Favored 'General case' 0 C--N 1.293 -1.865 0 N-CA-C 108.659 -0.867 . . . . 0.0 108.659 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -76.49 -46.79 25.21 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 121.23 -0.919 . . . . 0.0 109.582 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -57.98 -49.71 75.9 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.8 -1.188 . . . . 0.0 108.839 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.444 ' HZ ' ' H9 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.65 66.46 0.04 OUTLIER Glycine 0 N--CA 1.49 2.294 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 . . . . . 0 N--CA 1.495 1.793 0 O-C-N 121.387 -1.067 . . . . 0.0 109.363 -179.753 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.846 0 N-CA-C 119.366 2.506 . . . . 0.0 119.366 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -67.86 98.61 0.75 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.196 -1.179 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 18.6 mt-30 -69.81 148.28 49.31 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.25 -0.906 . . . . 0.0 109.569 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.533 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -65.66 118.62 9.82 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -179.374 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 5.5 p -119.83 -28.2 5.26 Favored 'General case' 0 N--CA 1.518 2.936 0 O-C-N 121.284 -0.885 . . . . 0.0 111.339 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.43 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -86.99 -49.49 7.31 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 122.723 1.249 . . . . 0.0 108.119 -179.346 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.43 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.89 102.88 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 CA-C-O 122.436 1.112 . . . . 0.0 109.901 -177.514 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -82.66 121.19 26.52 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.499 -1.376 . . . . 0.0 110.974 -179.084 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.53 -19.95 50.95 Favored Glycine 0 N--CA 1.502 3.041 0 O-C-N 121.405 -0.809 . . . . 0.0 112.02 177.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -134.11 97.93 3.99 Favored 'General case' 0 N--CA 1.51 2.569 0 CA-C-N 119.016 1.408 . . . . 0.0 110.64 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.97 161.27 13.71 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 108.107 -1.071 . . . . 0.0 108.107 178.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.489 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 36.7 m-85 -124.86 133.39 53.1 Favored 'General case' 0 N--CA 1.503 2.189 0 CA-C-O 121.279 0.562 . . . . 0.0 110.03 -178.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -63.95 -42.19 97.38 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.418 -1.327 . . . . 0.0 107.418 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.467 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.1 OUTLIER -102.69 126.36 49.77 Favored 'General case' 0 N--CA 1.5 2.045 0 N-CA-C 107.732 -1.21 . . . . 0.0 107.732 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -64.92 -20.58 66.52 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.23 -0.988 . . . . 0.0 108.662 179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -61.69 -48.33 81.27 Favored 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.04 -1.037 . . . . 0.0 108.45 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 64.2 mm-40 -57.77 -31.95 67.02 Favored 'General case' 0 C--N 1.307 -1.259 0 O-C-N 121.263 -0.898 . . . . 0.0 108.802 179.688 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 20.6 tp -74.69 -37.35 62.67 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 178.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -60.41 -39.23 86.65 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 28.1 m-20 -73.47 -52.08 14.91 Favored 'General case' 0 C--N 1.296 -1.722 0 CA-C-O 121.605 0.717 . . . . 0.0 109.407 179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.93 -24.99 66.46 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.855 -1.153 . . . . 0.0 108.484 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -66.53 -38.57 81.96 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.701 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 66.9 mm-40 -61.17 -28.44 69.12 Favored 'General case' 0 C--N 1.294 -1.809 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 -179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.9 tptt -75.91 -46.87 27.74 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.317 -0.864 . . . . 0.0 109.064 179.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -61.6 -48.94 78.64 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 120.918 -1.114 . . . . 0.0 109.073 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.425 ' C6 ' ' NZ ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 75.35 51.16 7.61 Favored Glycine 0 N--CA 1.492 2.411 0 N-CA-C 109.458 -1.457 . . . . 0.0 109.458 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 15.3 ptm180 . . . . . 0 N--CA 1.492 1.633 0 O-C-N 121.362 -1.081 . . . . 0.0 109.685 -179.982 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.857 0 N-CA-C 119.358 2.503 . . . . 0.0 119.358 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -67.71 111.5 4.28 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.165 -1.197 . . . . 0.0 109.074 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 10.6 mm100 -69.75 147.96 49.79 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.063 -1.023 . . . . 0.0 109.545 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -65.25 119.18 10.43 Favored 'General case' 0 C--N 1.3 -1.582 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 -179.279 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.4 p -119.16 -27.34 5.7 Favored 'General case' 0 N--CA 1.517 2.912 0 O-C-N 121.247 -0.908 . . . . 0.0 111.293 -179.345 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.454 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -94.19 -49.41 5.75 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 122.459 1.123 . . . . 0.0 108.482 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.454 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.477 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.17 111.1 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.656 0 CA-C-O 122.241 1.019 . . . . 0.0 109.211 -177.709 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.99 137.82 32.05 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.781 -1.199 . . . . 0.0 110.784 -178.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.8 -20.21 4.6 Favored Glycine 0 N--CA 1.497 2.734 0 O-C-N 121.585 -0.697 . . . . 0.0 111.566 178.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -134.18 98.39 4.11 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 121.158 -1.201 . . . . 0.0 110.102 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.04 160.81 14.75 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 178.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.444 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 51.4 m-85 -119.06 132.82 56.06 Favored 'General case' 0 N--CA 1.498 1.943 0 CA-C-O 121.241 0.543 . . . . 0.0 109.714 -179.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 43.8 ttm180 -64.0 -43.56 95.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.427 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.75 127.04 53.05 Favored 'General case' 0 N--CA 1.5 2.046 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.266 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -61.6 -21.28 64.2 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 179.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -53.97 -46.24 71.59 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.532 -0.73 . . . . 0.0 109.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -68.32 -33.23 73.93 Favored 'General case' 0 C--N 1.306 -1.296 0 O-C-N 121.572 -0.705 . . . . 0.0 109.68 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.1 tp -69.11 -34.37 74.97 Favored 'General case' 0 N--CA 1.491 1.602 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -61.0 -37.19 81.65 Favored 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.123 -1.065 . . . . 0.0 108.123 179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.27 -52.6 11.84 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-O 121.534 0.683 . . . . 0.0 109.325 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.57 -25.37 66.14 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.92 -1.113 . . . . 0.0 108.405 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.12 -39.5 85.76 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 N-CA-C 106.728 -1.582 . . . . 0.0 106.728 178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.5 mt-10 -61.21 -27.12 68.2 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -75.18 -47.17 29.65 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.448 -0.782 . . . . 0.0 109.266 179.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.435 ' C ' ' H ' ' A' ' 28' ' ' GLY . 3.0 m-85 -62.68 -48.7 78.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.99 -1.069 . . . . 0.0 108.842 179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.446 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' H ' ' C ' ' A' ' 26' ' ' PHE . . . -76.59 -53.79 5.31 Favored Glycine 0 N--CA 1.493 2.457 0 N-CA-C 109.408 -1.477 . . . . 0.0 109.408 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 61.4 mtp180 . . . . . 0 N--CA 1.494 1.754 0 O-C-N 121.333 -1.098 . . . . 0.0 109.444 179.933 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.418 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 1 N--CA 1.529 4.872 0 N-CA-C 119.477 2.551 . . . . 0.0 119.477 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 39.9 tt0 -82.49 98.17 8.79 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 121.284 -1.127 . . . . 0.0 109.439 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.418 ' NE2' ' O ' ' A' ' 1' ' ' GLY . 4.2 mp0 -72.78 147.71 45.27 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.17 -0.956 . . . . 0.0 109.092 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.41 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -67.53 118.44 10.85 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.285 -0.884 . . . . 0.0 109.393 -179.345 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 71.9 p -120.36 -26.04 5.51 Favored 'General case' 0 N--CA 1.513 2.719 0 O-C-N 121.316 -0.865 . . . . 0.0 110.79 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.529 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -119.81 -60.0 1.75 Allowed 'General case' 0 N--CA 1.506 2.328 0 O-C-N 121.52 -0.738 . . . . 0.0 109.045 -178.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.529 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.514 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.34 119.73 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 CA-C-O 122.154 0.978 . . . . 0.0 108.776 -177.552 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 97.3 mttt -100.18 130.68 46.34 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.079 -1.013 . . . . 0.0 109.999 -178.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.86 -20.65 27.34 Favored Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.756 -0.938 . . . . 0.0 110.756 179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -134.39 97.87 3.94 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 121.216 -1.167 . . . . 0.0 109.355 179.604 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -98.76 160.52 14.21 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.326 -0.859 . . . . 0.0 108.691 179.205 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.474 ' CD1' HD13 ' A' ' 19' ' ' LEU . 29.9 m-85 -115.74 142.93 46.1 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.434 0.635 . . . . 0.0 110.402 -177.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 44.9 ttp180 -89.39 -40.31 12.83 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 106.725 -1.584 . . . . 0.0 106.725 177.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.491 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.75 126.24 52.04 Favored 'General case' 0 N--CA 1.502 2.144 0 N-CA-C 107.865 -1.161 . . . . 0.0 107.865 178.452 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -67.57 -21.53 65.43 Favored 'General case' 0 C--N 1.302 -1.486 0 C-N-CA 119.299 -0.96 . . . . 0.0 108.739 179.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.4 ' CB ' ' NZ ' ' A' ' 17' ' ' LYS . 3.0 ttmp? -57.66 -46.89 83.64 Favored 'General case' 0 C--N 1.306 -1.311 0 O-C-N 121.193 -0.942 . . . . 0.0 109.106 179.566 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 40.7 tt0 -69.02 -29.83 68.08 Favored 'General case' 0 C--N 1.307 -1.254 0 O-C-N 121.324 -0.86 . . . . 0.0 109.468 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.474 HD13 ' CD1' ' A' ' 13' ' ' PHE . 12.9 tp -70.99 -35.89 72.27 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 178.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.6 tpp180 -59.48 -38.37 80.66 Favored 'General case' 0 N--CA 1.494 1.745 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -74.73 -52.65 10.98 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-O 121.445 0.64 . . . . 0.0 109.685 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -59.75 -25.66 65.04 Favored 'General case' 0 C--N 1.305 -1.359 0 O-C-N 120.825 -1.172 . . . . 0.0 108.306 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.74 -39.02 83.63 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.642 0 N-CA-C 106.857 -1.535 . . . . 0.0 106.857 178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 60.4 mm-40 -60.41 -27.26 67.33 Favored 'General case' 0 C--N 1.297 -1.7 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -76.85 -47.43 21.35 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.508 -0.745 . . . . 0.0 109.529 179.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.473 ' C ' ' H ' ' A' ' 28' ' ' GLY . 4.4 m-85 -61.05 -48.64 80.79 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.912 -1.117 . . . . 0.0 108.951 179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.443 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.473 ' H ' ' C ' ' A' ' 26' ' ' PHE . . . -87.88 -60.54 1.58 Allowed Glycine 0 N--CA 1.498 2.81 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 mtm180 . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.362 -1.081 . . . . 0.0 109.91 -179.896 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.812 0 N-CA-C 119.377 2.511 . . . . 0.0 119.377 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 26.9 mm100 -68.93 125.27 26.12 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.257 -1.143 . . . . 0.0 109.456 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -69.76 150.14 47.23 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.207 -0.933 . . . . 0.0 109.653 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.617 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -63.76 118.68 8.66 Favored 'General case' 0 C--N 1.3 -1.561 0 O-C-N 121.704 -0.623 . . . . 0.0 109.73 -178.15 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 12.3 p -119.74 -27.59 5.42 Favored 'General case' 0 N--CA 1.516 2.873 0 O-C-N 121.219 -0.926 . . . . 0.0 111.04 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -97.56 -50.54 4.46 Favored 'General case' 0 N--CA 1.503 2.186 0 CA-C-O 122.254 1.026 . . . . 0.0 108.666 -179.009 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.557 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.88 125.8 3.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 -177.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 60.5 tttm -101.2 139.44 36.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.094 -1.004 . . . . 0.0 110.479 -178.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 76.09 -20.07 2.63 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 111.061 -0.816 . . . . 0.0 111.061 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.1 mmm180 -133.23 98.72 4.33 Favored 'General case' 0 N--CA 1.508 2.455 0 O-C-N 121.199 -1.177 . . . . 0.0 109.48 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.08 160.68 14.18 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 108.662 -0.866 . . . . 0.0 108.662 178.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.442 ' CD1' HD13 ' A' ' 19' ' ' LEU . 37.1 m-85 -118.0 133.64 55.72 Favored 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.457 0.646 . . . . 0.0 110.508 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 60.6 mtp180 -86.85 -39.83 15.47 Favored 'General case' 0 N--CA 1.494 1.749 0 N-CA-C 107.207 -1.405 . . . . 0.0 107.207 178.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.15 51.89 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 108.069 -1.085 . . . . 0.0 108.069 178.703 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.43 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 2.8 mp0 -66.62 -21.37 66.12 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.353 -0.939 . . . . 0.0 108.559 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -57.2 -47.03 82.3 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 121.376 -0.828 . . . . 0.0 109.291 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.6 tt0 -68.14 -32.34 72.54 Favored 'General case' 0 C--N 1.308 -1.21 0 O-C-N 121.239 -0.913 . . . . 0.0 109.591 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.442 HD13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 tp -70.53 -36.07 73.51 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.253 -0.904 . . . . 0.0 108.706 179.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 tmt_? -60.65 -37.84 82.88 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.183 -0.948 . . . . 0.0 108.448 179.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 53.2 m-20 -74.69 -52.98 10.16 Favored 'General case' 0 C--N 1.299 -1.589 0 CA-C-O 121.602 0.715 . . . . 0.0 109.425 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -59.14 -25.29 63.74 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.945 -1.097 . . . . 0.0 108.364 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -67.22 -38.11 80.4 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 N-CA-C 107.002 -1.481 . . . . 0.0 107.002 178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -59.92 -29.25 68.25 Favored 'General case' 0 C--N 1.295 -1.781 0 N-CA-C 108.415 -0.957 . . . . 0.0 108.415 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -76.73 -46.94 23.44 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.442 -0.786 . . . . 0.0 109.142 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -60.04 -51.05 71.32 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.856 -1.152 . . . . 0.0 109.058 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.42 ' C6 ' ' OA ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -70.28 -44.51 59.33 Favored Glycine 0 N--CA 1.49 2.263 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.9 ptt180 . . . . . 0 N--CA 1.498 1.944 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.21 -179.844 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.843 0 N-CA-C 119.446 2.538 . . . . 0.0 119.446 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.42 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 6.8 mp0 -66.79 112.61 4.33 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.261 -1.141 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 12.1 pt20 -69.78 147.63 50.2 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.256 -0.902 . . . . 0.0 109.265 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.26 120.15 12.75 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.332 -0.855 . . . . 0.0 109.821 -179.183 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 30.7 p -119.42 -25.79 5.96 Favored 'General case' 0 N--CA 1.511 2.625 0 O-C-N 121.313 -0.867 . . . . 0.0 110.593 179.526 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.539 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -117.41 -60.47 1.82 Allowed 'General case' 0 N--CA 1.505 2.315 0 O-C-N 121.62 -0.675 . . . . 0.0 109.181 -178.637 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.539 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.482 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.53 115.43 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.645 0 CA-C-O 122.244 1.021 . . . . 0.0 109.411 -177.416 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -95.68 123.3 39.18 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.925 -1.11 . . . . 0.0 110.054 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 94.2 -20.71 46.31 Favored Glycine 0 N--CA 1.503 3.135 0 O-C-N 121.362 -0.836 . . . . 0.0 111.191 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -134.23 97.91 3.97 Favored 'General case' 0 N--CA 1.509 2.499 0 O-C-N 121.149 -1.206 . . . . 0.0 109.602 179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.71 161.29 13.85 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.312 -0.867 . . . . 0.0 109.016 179.469 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 59.4 m-85 -123.55 132.89 54.01 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 121.325 0.583 . . . . 0.0 110.014 -179.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.457 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.5 mpt_? -64.71 -41.69 95.81 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 107.181 -1.415 . . . . 0.0 107.181 178.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -105.93 126.82 52.64 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.569 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.6 tt0 -63.06 -24.79 68.07 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.346 -0.941 . . . . 0.0 108.831 179.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 mptt -57.25 -47.99 79.99 Favored 'General case' 0 N--CA 1.483 1.203 0 O-C-N 120.892 -1.13 . . . . 0.0 108.635 179.435 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 70.2 mm-40 -60.22 -31.37 70.11 Favored 'General case' 0 C--N 1.304 -1.405 0 O-C-N 121.39 -0.819 . . . . 0.0 108.945 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.3 tp -74.21 -35.19 63.9 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.76 -1.2 . . . . 0.0 107.76 178.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -62.07 -37.3 84.5 Favored 'General case' 0 N--CA 1.491 1.592 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -73.71 -52.23 13.94 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.64 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -61.41 -25.34 67.14 Favored 'General case' 0 C--N 1.303 -1.456 0 O-C-N 120.963 -1.086 . . . . 0.0 108.421 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.59 -39.61 86.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 N-CA-C 106.614 -1.624 . . . . 0.0 106.614 178.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -62.49 -27.17 68.95 Favored 'General case' 0 C--N 1.293 -1.877 0 N-CA-C 108.428 -0.953 . . . . 0.0 108.428 179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -74.68 -47.31 32.4 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.33 -0.856 . . . . 0.0 109.372 179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.71 -49.69 76.48 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.991 -1.068 . . . . 0.0 108.662 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.415 H11A ' C8 ' ' A' ' 7' ' ' NAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 179.74 -60.15 0.08 OUTLIER Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.604 -1.399 . . . . 0.0 109.604 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 45.7 ttm-85 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.255 -1.144 . . . . 0.0 109.328 179.941 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.744 0 N-CA-C 119.496 2.558 . . . . 0.0 119.496 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.425 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 4.5 mp0 -66.8 124.39 22.81 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.258 -1.142 . . . . 0.0 109.356 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -69.91 147.75 49.85 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.274 -0.891 . . . . 0.0 109.36 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.518 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -65.72 119.15 10.67 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 110.017 -179.176 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.5 p -120.18 -26.4 5.5 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 121.252 -0.905 . . . . 0.0 110.604 179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.532 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -121.36 -61.38 1.54 Allowed 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.437 -0.789 . . . . 0.0 108.972 -178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.532 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.485 ' N ' ' O ' ' A' ' 6' ' ' ALA . 1.0 OUTLIER -146.33 108.13 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.752 0 CA-C-O 122.335 1.064 . . . . 0.0 108.934 -177.575 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.443 ' C ' ' H ' ' A' ' 11' ' ' ARG . 36.9 ttpt -89.75 149.25 22.81 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.764 -1.21 . . . . 0.0 111.0 -178.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.34 -20.57 0.58 Allowed Glycine 0 N--CA 1.494 2.544 0 N-CA-C 111.238 -0.745 . . . . 0.0 111.238 178.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.47 HH11 ' HG2' ' A' ' 11' ' ' ARG . 12.4 mtt-85 -134.32 98.69 4.17 Favored 'General case' 0 N--CA 1.507 2.391 0 O-C-N 121.254 -1.145 . . . . 0.0 109.65 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.27 155.99 18.56 Favored 'General case' 0 N--CA 1.494 1.73 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 179.112 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.463 ' CD1' HD13 ' A' ' 19' ' ' LEU . 52.2 m-85 -110.47 133.34 53.37 Favored 'General case' 0 N--CA 1.493 1.682 0 CA-C-O 121.189 0.519 . . . . 0.0 110.733 -178.227 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -77.18 -43.07 35.14 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 106.73 -1.582 . . . . 0.0 106.73 177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.6 p30 -106.41 126.65 52.52 Favored 'General case' 0 N--CA 1.498 1.938 0 N-CA-C 108.454 -0.943 . . . . 0.0 108.454 178.223 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 4.3 mp0 -63.89 -20.87 66.17 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.084 -1.046 . . . . 0.0 108.289 178.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -54.66 -48.48 72.29 Favored 'General case' 0 C--N 1.305 -1.345 0 O-C-N 121.567 -0.708 . . . . 0.0 109.268 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.488 ' CD ' HD21 ' A' ' 15' ' ' ASN . 89.8 mt-10 -68.77 -29.89 68.37 Favored 'General case' 0 C--N 1.307 -1.243 0 O-C-N 121.356 -0.84 . . . . 0.0 109.368 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.463 HD13 ' CD1' ' A' ' 13' ' ' PHE . 14.3 tp -69.61 -35.91 75.71 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 178.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.3 ttt180 -60.34 -38.32 83.44 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -74.07 -52.43 12.68 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.576 0.703 . . . . 0.0 109.427 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -60.15 -25.37 65.47 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 120.979 -1.076 . . . . 0.0 108.375 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.1 mt -66.71 -38.18 81.03 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.978 -1.49 . . . . 0.0 106.978 178.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.9 mt-10 -60.67 -28.42 68.58 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.437 -0.949 . . . . 0.0 108.437 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mmtt -76.77 -47.04 22.89 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.423 -0.798 . . . . 0.0 109.477 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -59.64 -49.37 78.01 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.009 -1.057 . . . . 0.0 108.988 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.417 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.69 -66.23 0.05 OUTLIER Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.382 -1.487 . . . . 0.0 109.382 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.4 mtp180 . . . . . 0 N--CA 1.494 1.771 0 O-C-N 121.322 -1.105 . . . . 0.0 109.479 179.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.757 0 N-CA-C 119.441 2.536 . . . . 0.0 119.441 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -67.34 138.83 57.07 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.213 -1.169 . . . . 0.0 109.332 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -72.33 148.67 45.13 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.15 -0.969 . . . . 0.0 109.738 -179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.581 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.47 120.24 11.92 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.734 -0.604 . . . . 0.0 109.53 -178.789 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 p -119.24 -27.54 5.63 Favored 'General case' 0 N--CA 1.517 2.906 0 O-C-N 121.283 -0.886 . . . . 0.0 111.22 -179.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -90.94 -50.95 5.59 Favored 'General case' 0 N--CA 1.501 2.099 0 CA-C-O 122.56 1.172 . . . . 0.0 108.394 -179.17 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.669 ' O ' ' H23' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.508 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.8 119.93 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 CA-C-O 122.3 1.048 . . . . 0.0 109.056 -178.237 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -97.99 113.72 25.65 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.993 -1.067 . . . . 0.0 110.088 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.39 -19.3 54.39 Favored Glycine 0 N--CA 1.503 3.131 0 O-C-N 121.51 -0.744 . . . . 0.0 111.376 178.445 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 24.7 mmm180 -132.85 98.12 4.22 Favored 'General case' 0 N--CA 1.511 2.597 0 O-C-N 121.128 -1.219 . . . . 0.0 110.056 -179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -101.75 161.48 13.62 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.385 -0.969 . . . . 0.0 108.385 178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.45 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 47.6 m-85 -123.22 135.64 54.37 Favored 'General case' 0 N--CA 1.501 2.121 0 CA-C-O 121.287 0.565 . . . . 0.0 110.075 -179.026 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -65.24 -43.01 92.74 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 107.117 -1.438 . . . . 0.0 107.117 178.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.511 HD21 ' CD ' ' A' ' 18' ' ' GLU . 0.9 OUTLIER -106.87 126.95 52.97 Favored 'General case' 0 N--CA 1.5 2.067 0 N-CA-C 108.137 -1.06 . . . . 0.0 108.137 178.168 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.41 -20.94 65.97 Favored 'General case' 0 C--N 1.3 -1.584 0 N-CA-C 108.076 -1.083 . . . . 0.0 108.076 179.045 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -55.3 -47.63 75.31 Favored 'General case' 0 C--N 1.306 -1.32 0 O-C-N 121.426 -0.796 . . . . 0.0 109.173 179.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.511 ' CD ' HD21 ' A' ' 15' ' ' ASN . 99.0 mt-10 -66.79 -29.85 69.9 Favored 'General case' 0 C--N 1.307 -1.275 0 O-C-N 121.621 -0.675 . . . . 0.0 109.761 -179.845 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.6 tp -71.43 -40.2 70.56 Favored 'General case' 0 N--CA 1.493 1.713 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.6 ttm180 -57.41 -38.13 73.85 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.18 -0.95 . . . . 0.0 108.781 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -74.86 -53.06 9.77 Favored 'General case' 0 C--N 1.297 -1.678 0 CA-C-O 121.747 0.784 . . . . 0.0 109.552 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -59.05 -25.18 63.5 Favored 'General case' 0 C--N 1.305 -1.362 0 O-C-N 120.719 -1.238 . . . . 0.0 108.437 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.7 mt -67.87 -38.59 80.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 N-CA-C 106.883 -1.525 . . . . 0.0 106.883 178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -56.64 -30.25 63.12 Favored 'General case' 0 C--N 1.299 -1.6 0 N-CA-C 108.273 -1.01 . . . . 0.0 108.273 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 29.1 mmtp -77.14 -40.66 44.78 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.565 -0.709 . . . . 0.0 109.433 178.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -71.26 -24.9 62.26 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.906 -1.121 . . . . 0.0 110.081 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.669 ' H23' ' O ' ' A' ' 7' ' ' NAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.41 45.06 0.05 OUTLIER Glycine 0 N--CA 1.491 2.332 0 N-CA-C 109.507 -1.437 . . . . 0.0 109.507 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.3 ptm180 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.452 -1.028 . . . . 0.0 109.538 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.836 0 N-CA-C 119.377 2.511 . . . . 0.0 119.377 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 25.5 pt20 -66.6 143.38 57.05 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.33 -1.1 . . . . 0.0 109.371 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 70.0 mm-40 -70.13 148.22 48.97 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.15 -0.969 . . . . 0.0 109.695 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.57 121.08 13.59 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 -179.407 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.1 p -119.04 -28.26 5.54 Favored 'General case' 0 N--CA 1.516 2.847 0 O-C-N 121.351 -0.843 . . . . 0.0 111.263 -178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -82.67 -53.64 5.77 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 122.808 1.29 . . . . 0.0 107.938 -179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.471 ' HA ' ' H13' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.401 ' O ' ' CD1' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -146.82 102.6 0.5 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 CA-C-O 122.555 1.169 . . . . 0.0 109.933 -177.597 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -80.52 118.22 21.93 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.452 -1.405 . . . . 0.0 111.034 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.11 -19.58 53.85 Favored Glycine 0 N--CA 1.503 3.108 0 O-C-N 121.392 -0.818 . . . . 0.0 112.233 177.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.79 98.76 4.26 Favored 'General case' 0 N--CA 1.51 2.568 0 CA-C-N 119.183 1.492 . . . . 0.0 110.702 -179.367 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.66 161.57 13.51 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 108.139 -1.06 . . . . 0.0 108.139 178.561 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.484 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 35.5 m-85 -127.78 133.54 49.47 Favored 'General case' 0 N--CA 1.504 2.248 0 CA-C-O 121.312 0.577 . . . . 0.0 110.213 -179.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -64.57 -40.97 96.5 Favored 'General case' 0 N--CA 1.495 1.79 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 178.704 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.473 HD21 ' CD ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -104.81 126.58 52.03 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 178.689 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.457 ' OE1' ' CE2' ' A' ' 4' ' ' TYR . 12.2 mm-40 -64.71 -20.81 66.54 Favored 'General case' 0 C--N 1.299 -1.608 0 C-N-CA 119.313 -0.955 . . . . 0.0 108.841 179.405 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -61.48 -48.47 80.95 Favored 'General case' 0 C--N 1.305 -1.351 0 O-C-N 121.007 -1.058 . . . . 0.0 108.264 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.473 ' CD ' HD21 ' A' ' 15' ' ' ASN . 94.2 mt-10 -58.73 -31.07 67.96 Favored 'General case' 0 N--CA 1.484 1.246 0 O-C-N 121.196 -0.94 . . . . 0.0 108.848 179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -74.38 -38.19 63.23 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 178.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.6 -39.27 83.62 Favored 'General case' 0 N--CA 1.493 1.723 0 N-CA-C 108.037 -1.098 . . . . 0.0 108.037 179.699 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -73.79 -52.23 13.8 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.439 0.638 . . . . 0.0 109.657 179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -60.86 -25.29 66.56 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.836 -1.165 . . . . 0.0 108.462 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.67 -38.99 83.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.663 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 178.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -61.13 -27.02 68.08 Favored 'General case' 0 C--N 1.296 -1.741 0 N-CA-C 108.174 -1.047 . . . . 0.0 108.174 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.6 tptp -75.66 -47.11 27.76 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.404 -0.81 . . . . 0.0 109.413 179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -63.62 -42.9 98.14 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.922 -1.111 . . . . 0.0 108.996 179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.513 ' CG ' ' S ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -172.16 -44.32 0.04 OUTLIER Glycine 0 N--CA 1.489 2.229 0 N-CA-C 109.523 -1.431 . . . . 0.0 109.523 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.1 ptt180 . . . . . 0 N--CA 1.496 1.859 0 O-C-N 121.493 -1.004 . . . . 0.0 109.254 -179.86 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.802 0 N-CA-C 119.482 2.553 . . . . 0.0 119.482 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 37.7 mt-30 -68.88 98.35 0.93 Allowed 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.199 -1.177 . . . . 0.0 109.518 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 26.5 mt-30 -71.15 127.52 32.85 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.265 -0.897 . . . . 0.0 109.427 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -64.62 122.51 17.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.393 -0.817 . . . . 0.0 109.85 -179.276 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.2 p -119.33 -25.64 6.04 Favored 'General case' 0 N--CA 1.513 2.677 0 O-C-N 121.306 -0.871 . . . . 0.0 110.971 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.484 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -111.18 -47.08 3.23 Favored 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 121.659 0.742 . . . . 0.0 109.571 -178.173 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.484 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.438 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.47 109.86 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 122.239 1.018 . . . . 0.0 109.636 -177.53 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -92.79 137.52 32.29 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.823 -1.173 . . . . 0.0 110.757 -179.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.55 -20.89 5.72 Favored Glycine 0 N--CA 1.498 2.785 0 O-C-N 121.56 -0.713 . . . . 0.0 111.47 178.434 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.435 HH11 ' HG2' ' A' ' 11' ' ' ARG . 25.9 mtt-85 -134.49 98.26 4.03 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 121.088 -1.242 . . . . 0.0 109.649 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -104.85 160.26 15.15 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.277 -0.889 . . . . 0.0 109.212 179.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.466 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 41.8 m-85 -120.58 132.77 55.31 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 121.278 0.561 . . . . 0.0 109.52 -179.258 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.446 ' CD ' ' N ' ' A' ' 14' ' ' ARG . 10.8 mpt_? -61.42 -43.67 98.47 Favored 'General case' 0 N--CA 1.492 1.648 0 N-CA-C 107.425 -1.324 . . . . 0.0 107.425 179.295 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.495 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.4 OUTLIER -107.02 127.38 53.41 Favored 'General case' 0 N--CA 1.501 2.111 0 N-CA-C 108.647 -0.871 . . . . 0.0 108.647 178.437 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tm-20 -60.34 -23.26 64.11 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 107.882 -1.155 . . . . 0.0 107.882 178.638 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttpt -53.32 -47.85 68.94 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.497 -0.752 . . . . 0.0 109.386 179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -66.17 -33.67 76.3 Favored 'General case' 0 C--N 1.307 -1.241 0 O-C-N 121.34 -0.85 . . . . 0.0 109.464 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.5 tp -68.41 -33.73 74.75 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 107.621 -1.252 . . . . 0.0 107.621 179.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.42 HH11 ' HG2' ' A' ' 20' ' ' ARG . 13.6 ttt-85 -61.87 -36.37 81.06 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 108.039 -1.097 . . . . 0.0 108.039 179.227 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -74.1 -52.24 13.2 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 121.481 0.657 . . . . 0.0 109.258 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -61.4 -25.38 67.16 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 120.957 -1.089 . . . . 0.0 108.343 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.18 -39.93 87.24 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.549 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -62.97 -26.77 68.99 Favored 'General case' 0 C--N 1.294 -1.848 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.2 tptp -73.87 -47.38 38.56 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.319 -0.863 . . . . 0.0 109.287 179.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -60.38 -44.06 96.0 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.955 -1.09 . . . . 0.0 108.401 179.43 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.524 ' HZ ' ' H9 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 172.97 -59.82 0.15 Allowed Glycine 0 N--CA 1.49 2.295 0 N-CA-C 109.475 -1.45 . . . . 0.0 109.475 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 . . . . . 0 N--CA 1.491 1.623 0 O-C-N 121.302 -1.116 . . . . 0.0 109.406 179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.883 0 N-CA-C 119.415 2.526 . . . . 0.0 119.415 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 24.8 mm100 -66.7 106.78 1.93 Allowed 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.332 -1.099 . . . . 0.0 109.377 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -69.8 149.79 47.56 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.177 -0.952 . . . . 0.0 109.728 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.61 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -63.75 120.27 11.53 Favored 'General case' 0 C--N 1.3 -1.584 0 O-C-N 121.767 -0.583 . . . . 0.0 109.567 -178.599 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.1 p -118.95 -26.14 6.08 Favored 'General case' 0 N--CA 1.514 2.755 0 O-C-N 121.258 -0.901 . . . . 0.0 111.168 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.482 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -104.46 -50.37 3.34 Favored 'General case' 0 N--CA 1.505 2.289 0 CA-C-O 122.091 0.948 . . . . 0.0 109.245 -178.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.482 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.432 HD12 ' O ' ' A' ' 8' ' ' ILE . 0.9 OUTLIER -147.56 114.05 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.683 0 CA-C-O 122.124 0.964 . . . . 0.0 109.104 -178.043 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.472 ' C ' ' H ' ' A' ' 11' ' ' ARG . 50.6 mtpt -97.98 148.54 23.37 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.375 -0.828 . . . . 0.0 110.133 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 71.76 -21.11 0.78 Allowed Glycine 0 N--CA 1.496 2.672 0 N-CA-C 110.476 -1.05 . . . . 0.0 110.476 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.472 ' H ' ' C ' ' A' ' 9' ' ' LYS . 25.4 mmm-85 -133.93 134.3 42.43 Favored 'General case' 0 N--CA 1.502 2.17 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.32 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -140.41 161.25 38.15 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.419 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 31.9 m-85 -124.77 133.29 53.2 Favored 'General case' 0 N--CA 1.499 2.009 0 CA-C-O 121.336 0.588 . . . . 0.0 110.158 -178.809 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.449 HH11 ' HG2' ' A' ' 14' ' ' ARG . 8.9 ttt-85 -65.21 -42.12 93.81 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.483 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.1 p30 -106.21 127.06 52.95 Favored 'General case' 0 N--CA 1.499 1.976 0 N-CA-C 108.45 -0.944 . . . . 0.0 108.45 178.539 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -61.82 -21.32 64.53 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.225 -0.99 . . . . 0.0 108.384 178.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 37.0 ttpt -54.07 -47.01 72.13 Favored 'General case' 0 C--N 1.307 -1.263 0 O-C-N 121.466 -0.771 . . . . 0.0 109.173 179.237 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -67.83 -32.41 72.92 Favored 'General case' 0 C--N 1.307 -1.26 0 O-C-N 121.512 -0.742 . . . . 0.0 109.788 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.0 tp -69.96 -34.25 73.16 Favored 'General case' 0 N--CA 1.491 1.576 0 N-CA-C 107.826 -1.175 . . . . 0.0 107.826 179.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -61.15 -36.75 80.62 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -74.05 -52.46 12.62 Favored 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 179.631 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.95 -25.22 66.66 Favored 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.013 -1.054 . . . . 0.0 108.532 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.3 mt -64.53 -39.91 87.22 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 N-CA-C 106.624 -1.621 . . . . 0.0 106.624 179.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -61.96 -26.99 68.53 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.0 tttm -74.96 -47.19 30.74 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.36 -0.837 . . . . 0.0 109.554 179.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.49 -49.69 76.55 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.993 -1.067 . . . . 0.0 108.925 179.768 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.4 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 173.88 45.13 0.05 OUTLIER Glycine 0 N--CA 1.489 2.199 0 N-CA-C 109.313 -1.515 . . . . 0.0 109.313 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 . . . . . 0 N--CA 1.494 1.765 0 O-C-N 121.454 -1.027 . . . . 0.0 109.42 -179.886 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.842 0 N-CA-C 119.421 2.528 . . . . 0.0 119.421 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.64 HE21 HE22 ' A' ' 3' ' ' GLN . 68.0 tp60 -67.35 109.73 3.27 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.199 -1.177 . . . . 0.0 109.211 -179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.64 HE22 HE21 ' A' ' 2' ' ' GLN . 2.3 pm0 -69.68 146.35 51.66 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.279 -0.888 . . . . 0.0 109.402 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.492 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -69.78 122.04 18.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.249 -0.907 . . . . 0.0 110.067 -179.001 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.552 ' CG2' HE21 ' A' ' 3' ' ' GLN . 29.5 p -119.78 -25.36 5.91 Favored 'General case' 0 N--CA 1.509 2.483 0 O-C-N 121.368 -0.832 . . . . 0.0 110.749 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.537 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -114.67 -56.79 2.34 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 121.635 -0.666 . . . . 0.0 109.427 -178.277 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.537 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.452 ' O ' HD12 ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.18 110.3 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.681 0 CA-C-O 122.178 0.989 . . . . 0.0 109.464 -177.69 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -92.78 137.34 32.45 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.827 -1.17 . . . . 0.0 110.558 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 81.04 -20.92 6.15 Favored Glycine 0 N--CA 1.497 2.764 0 O-C-N 121.598 -0.689 . . . . 0.0 111.435 178.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -134.48 98.4 4.07 Favored 'General case' 0 N--CA 1.509 2.52 0 O-C-N 121.127 -1.22 . . . . 0.0 109.784 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -105.49 160.62 15.02 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.338 -0.851 . . . . 0.0 109.245 179.36 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 13' ' ' PHE . 50.9 m-85 -120.45 132.31 55.16 Favored 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 121.182 0.515 . . . . 0.0 109.642 -179.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.466 HH11 ' CG ' ' A' ' 14' ' ' ARG . 0.0 OUTLIER -65.17 -41.58 94.53 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 179.074 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 15' ' ' ASN . 0.2 OUTLIER -106.44 126.34 52.12 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 107.807 -1.183 . . . . 0.0 107.807 178.649 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.446 ' CD ' ' H ' ' A' ' 16' ' ' GLU . 3.0 mp0 -63.74 -21.69 66.53 Favored 'General case' 0 C--N 1.301 -1.523 0 C-N-CA 119.111 -1.035 . . . . 0.0 108.62 179.416 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.1 ttmt -55.74 -45.08 78.07 Favored 'General case' 0 C--N 1.306 -1.286 0 O-C-N 121.301 -0.874 . . . . 0.0 108.881 179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 50.8 tt0 -65.27 -34.68 78.91 Favored 'General case' 0 C--N 1.307 -1.268 0 O-C-N 121.393 -0.817 . . . . 0.0 109.201 179.529 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.1 tp -68.53 -35.29 77.25 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 42.7 ttm180 -60.83 -37.34 81.71 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 108.355 -0.979 . . . . 0.0 108.355 179.382 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.7 t70 -74.18 -52.43 12.48 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.506 0.669 . . . . 0.0 109.293 179.709 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.77 -25.32 66.43 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 120.922 -1.111 . . . . 0.0 108.447 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.6 mt -64.9 -39.66 86.43 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 N-CA-C 106.732 -1.581 . . . . 0.0 106.732 178.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -62.22 -26.84 68.59 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 108.402 -0.962 . . . . 0.0 108.402 179.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -75.4 -47.21 28.46 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.421 -0.799 . . . . 0.0 109.53 179.691 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.433 ' C ' ' H ' ' A' ' 28' ' ' GLY . 3.7 m-85 -59.53 -49.76 76.52 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.924 -1.11 . . . . 0.0 108.708 179.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.705 ' H22' ' H11' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' H ' ' C ' ' A' ' 26' ' ' PHE . . . -174.71 48.62 0.14 Allowed Glycine 0 N--CA 1.491 2.339 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 33.7 ptt180 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.391 -1.064 . . . . 0.0 109.538 -179.911 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.352 2.501 . . . . 0.0 119.352 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -68.33 108.06 3.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.255 -1.144 . . . . 0.0 109.289 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.1 mt-30 -69.88 148.27 49.23 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.183 -0.948 . . . . 0.0 109.323 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.527 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -66.34 118.14 9.58 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.495 -0.753 . . . . 0.0 109.16 -179.256 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.7 p -119.91 -27.56 5.36 Favored 'General case' 0 N--CA 1.516 2.841 0 O-C-N 121.254 -0.904 . . . . 0.0 111.263 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.463 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -93.89 -49.9 5.6 Favored 'General case' 0 N--CA 1.502 2.158 0 CA-C-O 122.314 1.054 . . . . 0.0 108.613 -178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.463 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -147.14 102.91 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 CA-C-O 122.355 1.074 . . . . 0.0 109.837 -177.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -83.86 130.1 34.92 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.471 -1.393 . . . . 0.0 110.983 -179.028 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.79 -20.31 24.83 Favored Glycine 0 N--CA 1.5 2.954 0 O-C-N 121.466 -0.771 . . . . 0.0 111.955 177.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 80.2 mtm180 -134.21 98.21 4.06 Favored 'General case' 0 N--CA 1.51 2.571 0 CA-C-N 118.957 1.378 . . . . 0.0 110.238 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -103.17 161.04 14.13 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.51 -0.922 . . . . 0.0 108.51 178.809 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.436 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 55.3 m-85 -119.32 133.39 55.76 Favored 'General case' 0 N--CA 1.498 1.941 0 CA-C-O 121.419 0.628 . . . . 0.0 110.037 -178.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.3 ttt180 -63.53 -43.97 95.58 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.423 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -106.99 127.04 53.1 Favored 'General case' 0 N--CA 1.499 1.989 0 N-CA-C 108.442 -0.947 . . . . 0.0 108.442 178.267 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.34 -21.44 64.01 Favored 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.128 -1.064 . . . . 0.0 108.128 178.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 36.5 ttpt -53.85 -47.47 70.96 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.53 -0.731 . . . . 0.0 109.358 179.269 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -68.14 -30.5 69.65 Favored 'General case' 0 C--N 1.307 -1.279 0 O-C-N 121.441 -0.787 . . . . 0.0 109.848 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.5 tp -71.62 -35.39 70.43 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.005 -1.059 . . . . 0.0 108.167 179.401 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 HH11 ' CG ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -59.92 -38.74 83.24 Favored 'General case' 0 N--CA 1.493 1.682 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 179.282 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 34.0 m-20 -74.2 -52.71 11.6 Favored 'General case' 0 C--N 1.297 -1.691 0 CA-C-O 121.495 0.664 . . . . 0.0 109.616 179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -60.15 -25.48 65.55 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 120.862 -1.149 . . . . 0.0 108.493 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.9 mt -65.58 -39.21 84.33 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -60.66 -26.78 67.33 Favored 'General case' 0 C--N 1.295 -1.779 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -76.37 -47.13 24.45 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.472 -0.768 . . . . 0.0 109.788 179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -64.81 -50.96 64.67 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.984 -1.073 . . . . 0.0 109.39 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.41 ' OA ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 175.84 53.38 0.06 OUTLIER Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.305 -1.518 . . . . 0.0 109.305 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.2 mtm180 . . . . . 0 N--CA 1.49 1.565 0 O-C-N 121.361 -1.082 . . . . 0.0 109.561 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.455 ' O ' ' NE2' ' A' ' 3' ' ' GLN . . . . . . . . 1 N--CA 1.529 4.866 0 N-CA-C 119.371 2.508 . . . . 0.0 119.371 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -71.03 104.92 3.14 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.179 -1.189 . . . . 0.0 109.502 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.528 ' H ' ' CD ' ' A' ' 3' ' ' GLN . 17.9 mp0 -70.02 149.13 48.01 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.122 -0.986 . . . . 0.0 109.421 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -63.65 119.3 9.62 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.571 -0.706 . . . . 0.0 109.583 -179.013 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.4 p -118.84 -27.76 5.73 Favored 'General case' 0 N--CA 1.516 2.853 0 O-C-N 121.124 -0.985 . . . . 0.0 111.345 -179.339 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.496 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -96.55 -56.57 2.56 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-O 122.248 1.023 . . . . 0.0 108.42 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.496 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.521 HD12 ' O ' ' A' ' 8' ' ' ILE . 0.9 OUTLIER -148.2 127.75 4.21 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.73 0 CA-C-O 122.181 0.991 . . . . 0.0 108.823 -177.412 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -102.89 132.86 48.81 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.25 -0.906 . . . . 0.0 110.086 -179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.86 -20.5 12.15 Favored Glycine 0 N--CA 1.5 2.922 0 N-CA-C 110.86 -0.896 . . . . 0.0 110.86 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.1 mmt180 -133.58 98.51 4.22 Favored 'General case' 0 N--CA 1.509 2.488 0 O-C-N 121.325 -1.103 . . . . 0.0 109.356 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -99.34 161.27 13.71 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.49 -0.756 . . . . 0.0 109.06 179.437 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . . . . . . . . . 33.0 m-85 -119.59 133.85 55.48 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.465 0.65 . . . . 0.0 110.444 -177.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.466 HH11 ' HG2' ' A' ' 14' ' ' ARG . 2.2 mmt-85 -87.44 -40.37 14.43 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 107.269 -1.382 . . . . 0.0 107.269 177.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.516 HD21 ' CD ' ' A' ' 18' ' ' GLU . 1.6 p30 -106.08 126.94 52.81 Favored 'General case' 0 N--CA 1.501 2.102 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -64.39 -20.78 66.35 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 178.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -56.32 -48.54 76.5 Favored 'General case' 0 C--N 1.304 -1.371 0 O-C-N 121.484 -0.76 . . . . 0.0 109.504 179.748 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' CD ' HD21 ' A' ' 15' ' ' ASN . 86.4 mt-10 -69.77 -33.52 72.52 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.315 -0.866 . . . . 0.0 109.828 -179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.3 tp -69.97 -33.38 72.01 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.084 -1.01 . . . . 0.0 108.717 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 tpt180 -62.56 -37.41 86.05 Favored 'General case' 0 N--CA 1.492 1.654 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 179.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.5 -52.61 11.44 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.468 0.651 . . . . 0.0 109.557 179.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -60.49 -25.44 66.07 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.918 -1.114 . . . . 0.0 108.389 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.27 -39.19 84.59 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 106.816 -1.55 . . . . 0.0 106.816 178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.01 -26.91 67.94 Favored 'General case' 0 C--N 1.295 -1.792 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -76.52 -47.25 23.33 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.428 -0.795 . . . . 0.0 109.494 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.45 ' CD2' ' H21' ' A' ' 27' ' ' DNS . 3.9 m-85 -60.39 -49.72 76.47 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.918 -1.113 . . . . 0.0 108.9 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.45 ' H21' ' CD2' ' A' ' 26' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.83 -63.56 0.07 OUTLIER Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.55 ' N ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.883 0 O-C-N 121.201 -1.176 . . . . 0.0 108.357 179.501 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.812 0 N-CA-C 119.416 2.526 . . . . 0.0 119.416 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -67.06 139.36 57.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.225 -1.162 . . . . 0.0 109.267 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.402 ' O ' HG23 ' A' ' 5' ' ' THR . 34.9 mt-30 -69.88 149.04 48.27 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.175 -0.953 . . . . 0.0 109.611 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.06 119.01 9.34 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 -179.014 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.402 HG23 ' O ' ' A' ' 3' ' ' GLN . 5.6 p -119.43 -28.61 5.32 Favored 'General case' 0 N--CA 1.517 2.904 0 O-C-N 121.299 -0.876 . . . . 0.0 111.144 -179.342 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -87.11 -50.16 6.81 Favored 'General case' 0 N--CA 1.499 2.025 0 CA-C-O 122.779 1.276 . . . . 0.0 108.009 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.435 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.523 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.23 116.72 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.735 0 CA-C-O 122.285 1.041 . . . . 0.0 108.779 -177.963 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -94.32 137.92 32.91 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.793 -1.192 . . . . 0.0 110.387 -178.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 78.7 -20.07 4.62 Favored Glycine 0 N--CA 1.496 2.696 0 O-C-N 121.57 -0.706 . . . . 0.0 111.351 178.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 79.0 mtm180 -134.04 98.48 4.15 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 121.209 -1.171 . . . . 0.0 110.134 -179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.25 160.72 14.11 Favored 'General case' 0 N--CA 1.494 1.752 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.46 ' CD1' HD13 ' A' ' 19' ' ' LEU . 36.2 m-85 -116.8 135.18 53.95 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-O 121.419 0.628 . . . . 0.0 110.639 -177.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 90.0 mtm180 -79.97 -42.77 23.3 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 177.721 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.506 HD21 ' CD ' ' A' ' 18' ' ' GLU . 1.5 p30 -106.78 126.82 52.78 Favored 'General case' 0 N--CA 1.499 2.019 0 N-CA-C 108.768 -0.827 . . . . 0.0 108.768 178.142 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -64.09 -21.19 66.43 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 108.194 -1.039 . . . . 0.0 108.194 178.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 15.3 ttmm -55.4 -49.82 71.36 Favored 'General case' 0 C--N 1.308 -1.216 0 O-C-N 121.593 -0.692 . . . . 0.0 109.416 179.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.506 ' CD ' HD21 ' A' ' 15' ' ' ASN . 88.3 mt-10 -67.39 -29.66 69.23 Favored 'General case' 0 C--N 1.306 -1.322 0 O-C-N 121.472 -0.768 . . . . 0.0 109.471 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.46 HD13 ' CD1' ' A' ' 13' ' ' PHE . 12.8 tp -70.91 -36.87 72.87 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.089 -1.007 . . . . 0.0 108.562 179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -60.38 -38.55 84.26 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 108.261 -1.014 . . . . 0.0 108.261 179.557 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -74.06 -52.37 12.87 Favored 'General case' 0 C--N 1.297 -1.714 0 CA-C-O 121.565 0.698 . . . . 0.0 109.493 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.09 -25.45 65.42 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.835 -1.166 . . . . 0.0 108.371 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -66.61 -38.31 81.36 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 N-CA-C 106.924 -1.51 . . . . 0.0 106.924 178.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mt-10 -60.52 -28.17 68.19 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 108.338 -0.986 . . . . 0.0 108.338 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.58 -47.19 23.24 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.463 -0.773 . . . . 0.0 109.498 179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -61.72 -48.65 79.8 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.961 -1.087 . . . . 0.0 108.956 179.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.699 ' H11' ' H22' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -179.12 56.53 0.09 OUTLIER Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.763 ' HE ' ' H ' ' A' ' 29' ' ' ARG . 2.1 mmp_? . . . . . 0 N--CA 1.493 1.701 0 O-C-N 121.313 -1.11 . . . . 0.0 109.818 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.416 2.526 . . . . 0.0 119.416 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -67.17 136.11 54.55 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.203 -1.175 . . . . 0.0 109.461 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -69.88 142.62 52.98 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.3 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.553 ' CD1' ' N ' ' A' ' 4' ' ' TYR . 0.1 OUTLIER -64.32 124.13 20.93 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.478 -0.764 . . . . 0.0 109.953 -179.068 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.6 p -119.52 -25.37 6.02 Favored 'General case' 0 N--CA 1.51 2.563 0 O-C-N 121.257 -0.902 . . . . 0.0 110.858 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.505 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -113.73 -50.36 2.84 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-O 121.541 0.686 . . . . 0.0 109.679 -178.114 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.505 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.457 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.37 110.91 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.745 0 CA-C-O 122.206 1.003 . . . . 0.0 109.337 -177.555 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 53.6 mtpt -94.59 143.26 26.57 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.741 -1.224 . . . . 0.0 110.462 -178.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.48 -21.06 1.98 Allowed Glycine 0 N--CA 1.495 2.605 0 N-CA-C 111.376 -0.689 . . . . 0.0 111.376 178.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.445 HH11 ' HG2' ' A' ' 11' ' ' ARG . 19.2 mtt-85 -134.98 98.56 4.04 Favored 'General case' 0 N--CA 1.507 2.387 0 O-C-N 121.144 -1.21 . . . . 0.0 109.82 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -106.32 160.28 15.49 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.36 -0.837 . . . . 0.0 108.897 179.282 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.449 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 42.2 m-85 -118.9 132.95 56.12 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 -179.254 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 61.1 mtp180 -65.21 -41.78 94.14 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 107.456 -1.313 . . . . 0.0 107.456 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -106.3 126.85 52.74 Favored 'General case' 0 N--CA 1.498 1.944 0 N-CA-C 108.364 -0.976 . . . . 0.0 108.364 178.456 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 55.8 tt0 -62.34 -21.19 65.1 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.079 -1.082 . . . . 0.0 108.079 178.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -46.46 72.67 Favored 'General case' 0 C--N 1.307 -1.261 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 179.183 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -67.7 -33.56 75.14 Favored 'General case' 0 C--N 1.307 -1.281 0 O-C-N 121.532 -0.73 . . . . 0.0 109.723 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.39 -33.61 73.29 Favored 'General case' 0 N--CA 1.492 1.637 0 N-CA-C 107.706 -1.22 . . . . 0.0 107.706 179.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 70.5 ttt180 -62.06 -36.37 81.45 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 179.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.12 -52.53 12.29 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 109.179 -0.675 . . . . 0.0 109.179 179.591 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -60.9 -25.63 66.87 Favored 'General case' 0 C--N 1.303 -1.435 0 O-C-N 121.021 -1.049 . . . . 0.0 108.301 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.5 mt -64.2 -39.97 87.39 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.572 0 N-CA-C 106.649 -1.611 . . . . 0.0 106.649 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -61.53 -26.43 67.93 Favored 'General case' 0 C--N 1.295 -1.789 0 N-CA-C 107.966 -1.124 . . . . 0.0 107.966 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -73.41 -48.16 36.04 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 179.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -63.29 -47.77 80.9 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.839 -1.163 . . . . 0.0 108.608 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.484 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 154.51 -51.91 0.46 Allowed Glycine 0 N--CA 1.496 2.697 0 N-CA-C 108.962 -1.655 . . . . 0.0 108.962 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.438 HH11 ' HG2' ' A' ' 29' ' ' ARG . 25.1 mtt-85 . . . . . 0 N--CA 1.497 1.877 0 O-C-N 121.482 -1.011 . . . . 0.0 109.451 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.883 0 N-CA-C 119.394 2.517 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.539 ' H ' ' CD ' ' A' ' 2' ' ' GLN . 0.7 OUTLIER -66.6 134.55 52.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.242 -1.152 . . . . 0.0 109.697 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -78.96 148.75 32.49 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.189 -0.945 . . . . 0.0 109.718 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.577 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.37 124.05 20.77 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 -179.209 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.5 p -118.88 -28.31 5.59 Favored 'General case' 0 N--CA 1.515 2.813 0 O-C-N 121.389 -0.819 . . . . 0.0 111.097 -179.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -86.69 -52.32 5.6 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-O 122.83 1.3 . . . . 0.0 107.904 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.447 ' HA ' ' H13' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.562 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.94 134.28 12.59 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.743 0 CA-C-O 122.346 1.069 . . . . 0.0 108.436 -178.055 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 62.8 tttm -80.59 105.06 11.55 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.189 -0.944 . . . . 0.0 111.486 -177.598 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 70.4 -20.73 0.58 Allowed Glycine 0 N--CA 1.496 2.689 0 O-C-N 121.391 -0.818 . . . . 0.0 112.004 177.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 12.6 mpt_? -92.47 98.72 11.64 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 120.796 -1.414 . . . . 0.0 108.478 179.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -107.7 161.28 15.02 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.26 -0.9 . . . . 0.0 109.042 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.478 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 35.4 m-85 -132.68 133.73 43.92 Favored 'General case' 0 N--CA 1.499 2.01 0 CA-C-O 121.356 0.598 . . . . 0.0 109.777 -178.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -61.66 -42.93 99.59 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 107.385 -1.339 . . . . 0.0 107.385 179.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.3 OUTLIER -107.11 127.06 53.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 108.222 -1.029 . . . . 0.0 108.222 178.347 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -62.35 -20.98 64.94 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 108.109 -1.071 . . . . 0.0 108.109 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.13 -46.57 75.64 Favored 'General case' 0 C--N 1.307 -1.245 0 O-C-N 121.48 -0.763 . . . . 0.0 108.962 179.258 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -66.66 -30.05 70.22 Favored 'General case' 0 C--N 1.307 -1.276 0 O-C-N 121.518 -0.739 . . . . 0.0 109.803 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.1 tp -72.46 -38.74 68.18 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 179.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -59.14 -37.96 78.52 Favored 'General case' 0 N--CA 1.493 1.675 0 CA-C-O 122.063 0.935 . . . . 0.0 108.497 179.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -74.58 -52.35 12.05 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.402 0.62 . . . . 0.0 109.547 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.84 -25.29 66.53 Favored 'General case' 0 C--N 1.303 -1.431 0 O-C-N 120.923 -1.111 . . . . 0.0 108.492 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -65.34 -39.54 85.65 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.695 0 N-CA-C 106.629 -1.619 . . . . 0.0 106.629 178.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.1 mt-10 -62.3 -26.79 68.61 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.4 tttp -75.5 -47.27 27.76 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.345 -0.847 . . . . 0.0 109.526 179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -60.4 -49.31 78.1 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.95 -1.094 . . . . 0.0 108.635 179.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.447 ' H13' ' HA ' ' A' ' 7' ' ' NAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -174.03 59.81 0.13 Allowed Glycine 0 N--CA 1.491 2.302 0 N-CA-C 109.706 -1.358 . . . . 0.0 109.706 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 . . . . . 0 N--CA 1.505 2.301 0 CA-C-O 117.928 -1.034 . . . . 0.0 108.923 179.826 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.863 0 N-CA-C 119.479 2.552 . . . . 0.0 119.479 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 -66.88 119.61 12.18 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.294 -1.121 . . . . 0.0 109.435 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 14.3 pt20 -69.75 149.36 48.07 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.216 -0.927 . . . . 0.0 109.589 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.603 ' N ' ' CD1' ' A' ' 4' ' ' TYR . 0.0 OUTLIER -64.35 118.96 9.45 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.623 -0.673 . . . . 0.0 109.685 -178.512 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 p -119.35 -27.1 5.68 Favored 'General case' 0 N--CA 1.517 2.886 0 O-C-N 121.288 -0.883 . . . . 0.0 110.986 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.458 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -98.57 -49.27 4.69 Favored 'General case' 0 N--CA 1.503 2.178 0 CA-C-O 122.308 1.051 . . . . 0.0 108.651 -178.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.458 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.538 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.1 pp -147.16 113.16 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 CA-C-O 122.297 1.046 . . . . 0.0 108.845 -178.031 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.8 tttp -92.74 132.1 37.23 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.761 -1.212 . . . . 0.0 110.611 -178.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.54 -20.12 12.48 Favored Glycine 0 N--CA 1.497 2.748 0 O-C-N 121.488 -0.758 . . . . 0.0 111.626 178.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 16.0 tpt180 -134.02 98.32 4.11 Favored 'General case' 0 N--CA 1.509 2.493 0 CA-C-N 118.747 1.274 . . . . 0.0 110.054 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -102.83 161.44 13.74 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.956 -1.128 . . . . 0.0 107.956 178.497 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.462 ' N ' ' CD1' ' A' ' 13' ' ' PHE . 43.7 m-85 -125.86 132.77 52.12 Favored 'General case' 0 N--CA 1.5 2.028 0 CA-C-O 121.364 0.602 . . . . 0.0 110.44 -178.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -69.71 -36.62 76.09 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 106.753 -1.573 . . . . 0.0 106.753 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -103.11 125.63 49.91 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 107.379 -1.341 . . . . 0.0 107.379 178.447 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -67.1 -21.49 65.86 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.098 -1.001 . . . . 0.0 108.455 179.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mptm? -61.77 -48.8 79.03 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 108.301 -1.0 . . . . 0.0 108.301 179.392 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -58.23 -31.48 67.42 Favored 'General case' 0 C--N 1.306 -1.298 0 O-C-N 121.174 -0.954 . . . . 0.0 108.724 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 21.4 tp -74.58 -35.36 63.03 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 107.553 -1.277 . . . . 0.0 107.553 178.29 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 -61.57 -37.56 84.29 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 107.945 -1.132 . . . . 0.0 107.945 179.297 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -73.52 -52.42 13.65 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -60.78 -25.2 66.37 Favored 'General case' 0 C--N 1.304 -1.396 0 O-C-N 120.952 -1.093 . . . . 0.0 108.432 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 1.7 mt -65.86 -39.04 83.58 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 65.1 mm-40 -61.7 -27.3 68.6 Favored 'General case' 0 C--N 1.295 -1.791 0 N-CA-C 108.446 -0.946 . . . . 0.0 108.446 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -76.32 -47.07 24.86 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.304 -0.873 . . . . 0.0 109.467 179.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -60.26 -49.08 79.03 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.956 -1.09 . . . . 0.0 108.669 179.569 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.436 ' NZ ' ' C6 ' ' A' ' 27' ' ' DNS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.6 -54.38 5.5 Favored Glycine 0 N--CA 1.492 2.433 0 N-CA-C 109.221 -1.551 . . . . 0.0 109.221 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' N ' ' NE ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.501 2.083 0 O-C-N 121.386 -1.067 . . . . 0.0 108.335 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.347 2.499 . . . . 0.0 119.347 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.426 ' NE2' ' H5 ' ' A' ' 7' ' ' NAL . 53.9 tt0 -67.58 115.4 7.13 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.206 -1.173 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -69.86 140.89 53.28 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.152 -0.967 . . . . 0.0 109.505 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.423 ' CZ ' ' O ' ' A' ' 13' ' ' PHE . 0.0 OUTLIER -67.42 119.11 11.71 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.362 -0.837 . . . . 0.0 109.673 -179.074 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.8 p -120.06 -26.18 5.6 Favored 'General case' 0 N--CA 1.511 2.619 0 O-C-N 121.453 -0.779 . . . . 0.0 110.447 179.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.519 ' O ' ' C ' ' A' ' 7' ' ' NAL . . . -120.98 -61.31 1.57 Allowed 'General case' 0 N--CA 1.505 2.276 0 N-CA-C 108.865 -0.791 . . . . 0.0 108.865 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' NAL . . . . . 0.519 ' C ' ' O ' ' A' ' 6' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.485 HD12 ' O ' ' A' ' 8' ' ' ILE . 1.0 OUTLIER -147.06 115.88 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 CA-C-O 122.177 0.989 . . . . 0.0 109.227 -177.22 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 61.4 tttp -96.32 138.53 33.79 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.985 -1.072 . . . . 0.0 110.243 -179.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 80.99 -20.83 6.19 Favored Glycine 0 N--CA 1.499 2.845 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 178.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 58.9 mtp180 -134.13 98.21 4.07 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 121.202 -1.175 . . . . 0.0 109.253 179.627 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -100.63 160.45 14.34 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.366 -0.833 . . . . 0.0 109.079 179.506 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' PHE . . . . . 0.435 ' CD1' HD13 ' A' ' 19' ' ' LEU . 38.6 m-85 -116.09 133.83 55.6 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-O 121.399 0.619 . . . . 0.0 110.703 -177.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.413 ' CG ' ' N ' ' A' ' 15' ' ' ASN . 11.4 ptp180 -80.16 -43.47 21.54 Favored 'General case' 0 N--CA 1.495 1.788 0 N-CA-C 107.212 -1.403 . . . . 0.0 107.212 177.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.486 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -107.01 127.29 53.33 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.695 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 16' ' ' GLU . 16.9 mp0 -62.72 -21.26 65.65 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 108.299 -1.0 . . . . 0.0 108.299 178.533 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.6 ttmt -54.98 -49.09 72.3 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.53 -0.731 . . . . 0.0 109.583 179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -69.67 -29.93 67.48 Favored 'General case' 0 N--CA 1.487 1.387 0 O-C-N 121.305 -0.872 . . . . 0.0 109.46 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.435 HD13 ' CD1' ' A' ' 13' ' ' PHE . 11.9 tp -70.74 -35.97 72.93 Favored 'General case' 0 N--CA 1.495 1.794 0 O-C-N 121.05 -1.031 . . . . 0.0 108.507 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 72.0 ttt180 -60.35 -38.09 82.72 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -0.968 . . . . 0.0 108.42 179.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -74.67 -53.81 8.6 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -57.74 -24.6 57.82 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 120.874 -1.141 . . . . 0.0 108.566 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 2.0 mt -67.88 -37.38 78.34 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.741 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 178.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.42 -31.12 65.56 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -76.82 -47.43 21.48 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.603 -0.686 . . . . 0.0 109.594 179.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.444 ' CD2' ' H21' ' A' ' 27' ' ' DNS . 3.9 m-85 -59.07 -49.56 77.41 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.907 -1.12 . . . . 0.0 108.859 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' DNS . . . . . 0.444 ' H21' ' CD2' ' A' ' 26' ' ' PHE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 174.48 -53.03 0.14 Allowed Glycine 0 N--CA 1.49 2.266 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.452 HH11 ' HG2' ' A' ' 29' ' ' ARG . 2.0 mmt-85 . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.293 -1.122 . . . . 0.0 109.368 179.91 . . . . . . . . 1 1 . 1 stop_ save_