data_2bau_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 2bau _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 ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -99.46 -16.58 18.3 Favored 'General case' 0 C--O 1.197 -1.679 0 O-C-N 121.35 -1.088 . . . . 0.0 109.315 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.148 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.449 0.2 OUTLIER -72.06 -60.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 129.289 3.036 . . . . 0.0 116.682 179.627 . . . . . . . . 4 4 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.935 ' H ' HG22 ' A' ' 4' ' ' VAL 0.588 20.9 mt -43.39 -15.58 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.822 1 CA-C-O 129.279 4.371 . . . . 0.0 101.778 172.471 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.956 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.305 4.8 t -117.19 -38.61 3.33 Favored 'General case' 1 N--CA 1.372 -4.331 2 CA-C-N 101.389 -7.187 . . . . 0.0 111.709 -177.206 . . . . . . . . 5 3 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.148 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 8.6 mmtm -102.89 -21.79 13.95 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.111 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.881 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.335 1.7 mp -104.0 -61.07 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 127.662 3.601 . . . . 0.0 109.496 -175.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.826 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.49 56.8 m-85 . . . . . 0 C--N 1.256 -3.474 1 CA-C-N 104.692 -5.686 . . . . 0.0 104.544 -179.705 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -103.9 -19.33 14.28 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.122 -1.222 . . . . 0.0 109.116 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.181 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.454 0.1 OUTLIER -73.7 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 129.745 3.218 . . . . 0.0 116.885 179.845 . . . . . . . . 4 4 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.894 ' H ' HG22 ' A' ' 4' ' ' VAL 0.578 23.2 mt -43.74 -14.42 0.01 OUTLIER 'General case' 0 CA--C 1.453 -2.756 1 CA-C-O 129.337 4.399 . . . . 0.0 101.287 172.286 . . . . . . . . 4 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.977 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.313 7.6 t -116.65 -41.41 3.08 Favored 'General case' 1 N--CA 1.376 -4.127 2 CA-C-N 101.016 -7.357 . . . . 0.0 112.166 -176.803 . . . . . . . . 5 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.181 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -101.63 -23.53 14.25 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 119.082 -1.047 . . . . 0.0 110.924 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.879 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.346 1.7 mp -102.32 -53.64 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.939 0 CA-C-O 128.014 3.769 . . . . 0.0 110.009 -174.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.847 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.475 59.3 m-85 . . . . . 0 C--N 1.246 -3.9 1 CA-C-N 104.073 -5.967 . . . . 0.0 104.971 -176.738 . . . . . . . . 3 2 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.492 ' O ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.496 2.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 1.04 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -111.57 -22.64 11.13 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.977 ' C ' ' N ' ' A' ' 6' ' ' SER 0.427 0.0 OUTLIER -59.86 -61.68 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.436 -3.408 0 C-N-CA 131.483 3.913 . . . . 0.0 114.559 178.111 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.946 ' HA ' ' CB ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -44.74 -12.87 0.02 OUTLIER 'General case' 2 N--CA 1.362 -4.859 0 CA-C-N 108.53 -3.941 . . . . 0.0 102.935 178.086 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.977 ' N ' ' C ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -125.24 -30.58 3.15 Favored 'General case' 0 N--CA 1.389 -3.519 1 CA-C-N 107.762 -4.29 . . . . 0.0 110.726 168.996 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.04 ' N ' ' O ' ' A' ' 3' ' ' LYS . 10.2 mmtp -79.11 -41.72 27.97 Favored 'General case' 0 N--CA 1.416 -2.154 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.942 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.337 1.6 mp -113.55 -63.69 1.9 Allowed 'Isoleucine or valine' 1 N--CA 1.357 -5.086 0 CA-C-O 124.203 1.954 . . . . 0.0 111.545 -178.772 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.946 ' CB ' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.433 -1.293 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.908 -171.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.513 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.792 ' O ' ' HB3' ' A' ' 6' ' ' SER . 0.0 OUTLIER -109.72 9.08 24.95 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.577 -1.543 . . . . 0.0 110.777 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.089 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.435 0.1 OUTLIER -79.0 -51.08 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.989 0 CA-C-O 128.388 3.947 . . . . 0.0 107.78 179.024 . . . . . . . . 4 4 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 1.035 ' H ' HG22 ' A' ' 4' ' ' VAL 0.624 12.6 mt -41.04 -20.59 0.01 OUTLIER 'General case' 0 N--CA 1.379 -3.976 2 CA-C-N 104.247 -5.888 . . . . 0.0 102.688 169.109 . . . . . . . . 4 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.915 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.308 0.1 OUTLIER -121.9 -20.02 6.5 Favored 'General case' 1 N--CA 1.372 -4.347 1 CA-C-N 102.493 -6.685 . . . . 0.0 112.156 -178.345 . . . . . . . . 6 4 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.089 ' H ' ' C ' ' A' ' 4' ' ' VAL . 10.7 mmmm -102.01 -30.99 10.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.834 -1.166 . . . . 0.0 108.508 174.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.978 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.352 1.5 mp -101.26 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.057 0 CA-C-O 127.603 3.573 . . . . 0.0 110.079 -173.335 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.978 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.519 86.1 m-85 . . . . . 0 C--N 1.258 -3.395 1 CA-C-N 104.801 -5.636 . . . . 0.0 104.597 179.918 . . . . . . . . 3 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.609 ' H ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.492 2.429 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.954 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.5 ptpt -108.06 -19.6 13.45 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 121.26 -1.141 . . . . 0.0 108.771 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.145 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.453 0.3 OUTLIER -72.92 -60.78 2.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 129.445 3.098 . . . . 0.0 116.645 178.887 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.933 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.577 22.7 mt -43.78 -14.49 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.821 1 CA-C-O 129.003 4.239 . . . . 0.0 101.932 172.02 . . . . . . . . 4 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.968 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.324 7.0 t -117.73 -38.8 3.21 Favored 'General case' 1 N--CA 1.372 -4.356 2 CA-C-N 101.727 -7.033 . . . . 0.0 111.54 -177.022 . . . . . . . . 5 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.145 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 29.0 mmtm -103.46 -21.76 13.74 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 118.721 -1.191 . . . . 0.0 111.155 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.882 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.33 1.7 mp -103.71 -60.7 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 CA-C-O 127.564 3.554 . . . . 0.0 109.384 -175.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.818 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.485 57.0 m-85 . . . . . 0 C--N 1.257 -3.442 1 CA-C-N 104.853 -5.612 . . . . 0.0 104.942 -179.025 . . . . . . . . 3 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.494 ' CA ' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.5 2.962 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.989 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 15.9 mtpt -110.43 3.51 19.73 Favored 'General case' 0 C--O 1.163 -3.462 0 O-C-N 120.822 -1.399 . . . . 0.0 110.982 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.061 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -110.37 -58.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-O 128.151 3.834 . . . . 0.0 110.38 -174.181 . . . . . . . . 4 4 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.986 ' H ' HG21 ' A' ' 4' ' ' VAL 0.574 14.9 mt -42.27 -20.91 0.02 OUTLIER 'General case' 1 N--CA 1.348 -5.553 2 CA-C-N 103.957 -6.02 . . . . 0.0 100.788 171.369 . . . . . . . . 5 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.947 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.267 0.4 OUTLIER -116.44 -43.22 2.94 Favored 'General case' 1 N--CA 1.376 -4.169 1 CA-C-N 102.072 -6.876 . . . . 0.0 110.38 -178.334 . . . . . . . . 6 4 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.061 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 4.2 mmtm -90.54 -23.59 20.86 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.544 -2.062 . . . . 0.0 111.358 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.057 ' HB ' ' CD1' ' A' ' 9' ' ' PHE 0.353 1.6 mp -111.44 -62.02 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 CA-C-O 127.113 3.339 . . . . 0.0 110.682 -173.072 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 1.057 ' CD1' ' HB ' ' A' ' 8' ' ' ILE 0.46 57.1 m-85 . . . . . 0 C--N 1.269 -2.907 1 CA-C-N 105.609 -5.269 . . . . 0.0 106.648 -178.939 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.658 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 1.042 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.3 mmtm -102.68 -21.54 14.1 Favored 'General case' 0 C--O 1.192 -1.945 0 O-C-N 120.901 -1.352 . . . . 0.0 109.464 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.052 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -69.44 -61.74 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.279 -2.485 0 C-N-CA 128.897 2.879 . . . . 0.0 116.153 179.417 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.879 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.59 14.3 mt -41.55 -18.87 0.01 OUTLIER 'General case' 0 N--CA 1.38 -3.968 0 CA-C-O 128.376 3.941 . . . . 0.0 103.598 173.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.894 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.283 23.1 t -120.61 -26.21 5.37 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 102.969 -6.469 . . . . 0.0 111.643 -178.489 . . . . . . . . 5 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.052 ' H ' ' C ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -105.44 -25.29 12.41 Favored 'General case' 0 C--N 1.282 -2.328 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.931 178.602 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.997 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.337 1.7 mp -105.33 -61.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.148 0 CA-C-O 127.129 3.347 . . . . 0.0 108.332 -178.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.997 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.488 80.7 m-85 . . . . . 0 C--N 1.265 -3.068 1 CA-C-N 105.617 -5.265 . . . . 0.0 103.919 177.549 . . . . . . . . 3 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.522 ' N ' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.992 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.894 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -110.35 2.67 19.22 Favored 'General case' 0 C--O 1.184 -2.383 0 CA-C-N 120.212 2.006 . . . . 0.0 112.276 -176.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.118 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.431 0.1 OUTLIER -104.71 -56.08 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.069 0 CA-C-O 127.602 3.572 . . . . 0.0 108.076 -174.91 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.83 ' H ' HG22 ' A' ' 4' ' ' VAL 0.578 8.7 mt -41.87 -20.18 0.01 OUTLIER 'General case' 1 N--CA 1.378 -4.058 2 CA-C-N 104.517 -5.765 . . . . 0.0 102.401 170.855 . . . . . . . . 5 3 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.973 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.274 0.1 OUTLIER -116.05 -41.95 3.12 Favored 'General case' 1 N--CA 1.368 -4.57 2 CA-C-N 101.1 -7.318 . . . . 0.0 111.63 -178.249 . . . . . . . . 6 4 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.118 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 5.5 mmtp -90.72 -25.71 19.89 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.687 -1.605 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.94 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.349 1.6 mp -103.07 -58.71 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 CA-C-O 127.93 3.729 . . . . 0.0 110.179 -174.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.94 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.509 80.2 m-85 . . . . . 0 C--N 1.249 -3.793 1 CA-C-N 104.311 -5.859 . . . . 0.0 106.115 179.931 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.469 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 1.089 ' O ' ' N ' ' A' ' 7' ' ' LYS . 47.6 mmtt -97.58 -17.06 19.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.096 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.444 0.0 OUTLIER -71.38 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 CA-C-O 126.139 2.876 . . . . 0.0 115.777 -179.602 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.914 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.603 13.0 mt -41.06 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.624 1 CA-C-O 128.736 4.113 . . . . 0.0 103.258 174.17 . . . . . . . . 4 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.91 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.293 1.7 t -119.23 -34.89 3.73 Favored 'General case' 1 N--CA 1.367 -4.621 1 CA-C-N 102.412 -6.722 . . . . 0.0 110.833 -179.121 . . . . . . . . 5 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.096 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 16.4 mmtp -93.67 -28.18 16.13 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.959 -1.496 . . . . 0.0 110.02 177.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.929 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.329 1.7 mp -103.09 -61.34 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.4 0 CA-C-O 127.301 3.429 . . . . 0.0 109.677 -174.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.929 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.48 80.3 m-85 . . . . . 0 C--N 1.259 -3.367 1 CA-C-N 105.628 -5.26 . . . . 0.0 104.315 178.625 . . . . . . . . 3 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.629 ' H ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 0.94 ' O ' ' N ' ' A' ' 7' ' ' LYS . 2.8 mtpp -91.97 -16.73 26.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.965 -1.315 . . . . 0.0 110.301 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.151 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.45 0.3 OUTLIER -73.53 -60.55 2.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 129.344 3.058 . . . . 0.0 116.694 179.716 . . . . . . . . 4 4 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.921 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.573 24.6 mt -43.99 -13.49 0.01 OUTLIER 'General case' 0 CA--C 1.456 -2.645 1 CA-C-O 129.305 4.383 . . . . 0.0 101.719 172.367 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.951 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.355 10.3 t -116.92 -43.62 2.86 Favored 'General case' 1 N--CA 1.366 -4.655 2 CA-C-N 101.288 -7.233 . . . . 0.0 111.656 -176.647 . . . . . . . . 5 3 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.151 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 23.7 mmmt -98.2 -25.72 14.79 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.215 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.88 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.321 1.7 mp -100.45 -60.96 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.789 0 CA-C-O 127.752 3.644 . . . . 0.0 109.501 -173.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.826 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.484 55.7 m-85 . . . . . 0 C--N 1.251 -3.691 1 CA-C-N 104.585 -5.734 . . . . 0.0 103.352 179.587 . . . . . . . . 3 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.682 ' C ' ' HZ1' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 1.196 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 mmtm -106.43 -17.43 14.27 Favored 'General case' 0 C--O 1.184 -2.371 0 O-C-N 121.628 -0.925 . . . . 0.0 109.049 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.977 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.491 0.0 OUTLIER -58.21 -61.27 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.776 0 C-N-CA 131.222 3.809 . . . . 0.0 113.473 176.728 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.919 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.53 8.2 mt -40.5 -24.3 0.02 OUTLIER 'General case' 1 CA--C 1.42 -4.036 1 CA-C-N 107.671 -4.331 . . . . 0.0 104.113 172.8 . . . . . . . . 5 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.835 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.32 19.6 t -124.81 -21.79 4.68 Favored 'General case' 2 N--CA 1.356 -5.142 1 CA-C-N 104.949 -5.569 . . . . 0.0 110.123 178.556 . . . . . . . . 5 3 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 3' ' ' LYS 0.271 31.3 mmtt -101.77 -50.53 3.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.296 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.37 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.312 0.0 OUTLIER -73.4 -71.7 0.2 Allowed 'Isoleucine or valine' 1 N--CA 1.337 -6.092 0 N-CA-C 100.646 -3.835 . . . . 0.0 100.646 170.781 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 1.37 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.302 62.4 m-85 . . . . . 0 C--N 1.26 -3.314 1 CA-C-N 107.11 -4.587 . . . . 0.0 103.359 -177.89 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLY . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.487 2.082 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . 1.092 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.65 2.39 18.55 Favored 'General case' 0 C--O 1.181 -2.507 0 O-C-N 121.229 -1.16 . . . . 0.0 109.99 -179.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 1.022 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.482 0.0 OUTLIER -65.7 -56.49 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.735 1 C-N-CA 132.212 4.205 . . . . 0.0 108.802 177.926 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.857 ' H ' HG22 ' A' ' 4' ' ' VAL 0.519 5.4 mt -41.95 -25.65 0.07 Allowed 'General case' 0 CA--C 1.424 -3.876 1 CA-C-N 104.163 -5.926 . . . . 0.0 103.332 170.268 . . . . . . . . 4 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' SER . . . . . 0.815 ' C ' ' O ' ' A' ' 3' ' ' LYS 0.294 5.5 t -127.16 -11.1 5.87 Favored 'General case' 2 N--CA 1.363 -4.806 1 CA-C-N 105.833 -5.167 . . . . 0.0 110.526 178.989 . . . . . . . . 5 3 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . 1.092 ' N ' ' O ' ' A' ' 3' ' ' LYS . 25.8 mmmt -108.08 -53.35 2.64 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 1.368 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.327 0.0 OUTLIER -73.29 -72.04 0.18 Allowed 'Isoleucine or valine' 1 N--CA 1.335 -6.221 0 N-CA-C 101.293 -3.595 . . . . 0.0 101.293 171.362 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 1.368 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.327 54.8 m-85 . . . . . 0 C--N 1.258 -3.41 1 CA-C-N 106.75 -4.75 . . . . 0.0 103.267 -178.147 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -99.46 -16.58 18.3 Favored 'General case' 0 C--O 1.197 -1.679 0 O-C-N 121.35 -1.088 . . . . 0.0 109.315 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.148 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.449 0.2 OUTLIER -72.06 -60.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 129.289 3.036 . . . . 0.0 116.682 179.627 . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.935 ' H ' HG22 ' A' ' 4' ' ' VAL 0.588 20.9 mt -43.39 -15.58 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.822 1 CA-C-O 129.279 4.371 . . . . 0.0 101.778 172.471 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.956 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.305 4.8 t -117.19 -38.61 3.33 Favored 'General case' 1 N--CA 1.372 -4.331 2 CA-C-N 101.389 -7.187 . . . . 0.0 111.709 -177.206 . . . . . . . . 5 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.148 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 8.6 mmtm -102.89 -21.79 13.95 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.111 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.881 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.335 1.7 mp -104.0 -61.07 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 127.662 3.601 . . . . 0.0 109.496 -175.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.826 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.49 56.8 m-85 -74.9 -37.83 62.0 Favored 'General case' 0 C--N 1.256 -3.474 1 CA-C-N 104.692 -5.686 . . . . 0.0 104.544 -179.705 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.575 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . 55.77 151.86 0.01 OUTLIER Glycine 0 N--CA 1.49 2.297 0 C-N-CA 118.333 -1.889 . . . . 0.0 109.41 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.206 -1.173 . . . . 0.0 109.007 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -103.9 -19.33 14.28 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.122 -1.222 . . . . 0.0 109.116 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.181 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.454 0.1 OUTLIER -73.7 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 129.745 3.218 . . . . 0.0 116.885 179.845 . . . . . . . . 4 4 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.894 ' H ' HG22 ' A' ' 4' ' ' VAL 0.578 23.2 mt -43.74 -14.42 0.01 OUTLIER 'General case' 0 CA--C 1.453 -2.756 1 CA-C-O 129.337 4.399 . . . . 0.0 101.287 172.286 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.977 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.313 7.6 t -116.65 -41.41 3.08 Favored 'General case' 1 N--CA 1.376 -4.127 2 CA-C-N 101.016 -7.357 . . . . 0.0 112.166 -176.803 . . . . . . . . 5 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.181 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -101.63 -23.53 14.25 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 119.082 -1.047 . . . . 0.0 110.924 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.879 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.346 1.7 mp -102.32 -53.64 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.939 0 CA-C-O 128.014 3.769 . . . . 0.0 110.009 -174.687 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.847 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.475 59.3 m-85 -84.51 -34.97 23.22 Favored 'General case' 0 C--N 1.246 -3.9 1 CA-C-N 104.073 -5.967 . . . . 0.0 104.971 -176.738 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.621 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -122.84 175.19 16.5 Favored Glycine 0 N--CA 1.502 3.051 0 C-N-CA 117.476 -2.297 . . . . 0.0 112.807 -178.407 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 N--CA 1.496 1.838 0 O-C-N 122.105 -0.644 . . . . 0.0 110.726 179.295 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.557 ' O1 ' ' CD1' ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.516 ' C ' ' O1 ' ' A' ' 1' ' ' MYR . . . . . . . . 0 N--CA 1.496 2.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 1.04 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -111.57 -22.64 11.13 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.977 ' C ' ' N ' ' A' ' 6' ' ' SER 0.427 0.0 OUTLIER -59.86 -61.68 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.436 -3.408 0 C-N-CA 131.483 3.913 . . . . 0.0 114.559 178.111 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.946 ' HA ' ' CB ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -44.74 -12.87 0.02 OUTLIER 'General case' 2 N--CA 1.362 -4.859 0 CA-C-N 108.53 -3.941 . . . . 0.0 102.935 178.086 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.977 ' N ' ' C ' ' A' ' 4' ' ' VAL . 0.4 OUTLIER -125.24 -30.58 3.15 Favored 'General case' 0 N--CA 1.389 -3.519 1 CA-C-N 107.762 -4.29 . . . . 0.0 110.726 168.996 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.04 ' N ' ' O ' ' A' ' 3' ' ' LYS . 10.2 mmtp -79.11 -41.72 27.97 Favored 'General case' 0 N--CA 1.416 -2.154 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.942 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.337 1.6 mp -113.55 -63.69 1.9 Allowed 'Isoleucine or valine' 1 N--CA 1.357 -5.086 0 CA-C-O 124.203 1.954 . . . . 0.0 111.545 -178.772 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.946 ' CB ' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -66.42 -4.87 9.1 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.908 -171.78 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' N ' ' O ' ' A' ' 5' ' ' LEU . . . -158.78 -173.75 27.59 Favored Glycine 0 N--CA 1.511 3.639 0 C-N-CA 119.451 -1.356 . . . . 0.0 110.488 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.587 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.919 -0.753 . . . . 0.0 110.965 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.823 ' H42' HG22 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.513 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.792 ' O ' ' HB3' ' A' ' 6' ' ' SER . 0.0 OUTLIER -109.72 9.08 24.95 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.577 -1.543 . . . . 0.0 110.777 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.089 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.435 0.1 OUTLIER -79.0 -51.08 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.989 0 CA-C-O 128.388 3.947 . . . . 0.0 107.78 179.024 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 1.035 ' H ' HG22 ' A' ' 4' ' ' VAL 0.624 12.6 mt -41.04 -20.59 0.01 OUTLIER 'General case' 0 N--CA 1.379 -3.976 2 CA-C-N 104.247 -5.888 . . . . 0.0 102.688 169.109 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.915 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.308 0.1 OUTLIER -121.9 -20.02 6.5 Favored 'General case' 1 N--CA 1.372 -4.347 1 CA-C-N 102.493 -6.685 . . . . 0.0 112.156 -178.345 . . . . . . . . 6 4 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.089 ' H ' ' C ' ' A' ' 4' ' ' VAL . 10.7 mmmm -102.01 -30.99 10.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.834 -1.166 . . . . 0.0 108.508 174.158 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.978 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.352 1.5 mp -101.26 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.057 0 CA-C-O 127.603 3.573 . . . . 0.0 110.079 -173.335 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.978 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.519 86.1 m-85 -74.59 -38.45 62.62 Favored 'General case' 0 C--N 1.258 -3.395 1 CA-C-N 104.801 -5.636 . . . . 0.0 104.597 179.918 . . . . . . . . 4 3 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.47 ' HA3' ' O ' ' A' ' 6' ' ' SER . . . -42.28 138.26 2.73 Favored Glycine 0 N--CA 1.489 2.21 0 C-N-CA 118.76 -1.686 . . . . 0.0 109.99 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.751 -0.853 . . . . 0.0 109.489 179.603 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.609 ' H ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.492 2.429 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.954 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.5 ptpt -108.06 -19.6 13.45 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 121.26 -1.141 . . . . 0.0 108.771 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.145 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.453 0.3 OUTLIER -72.92 -60.78 2.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 129.445 3.098 . . . . 0.0 116.645 178.887 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.933 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.577 22.7 mt -43.78 -14.49 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.821 1 CA-C-O 129.003 4.239 . . . . 0.0 101.932 172.02 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.968 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.324 7.0 t -117.73 -38.8 3.21 Favored 'General case' 1 N--CA 1.372 -4.356 2 CA-C-N 101.727 -7.033 . . . . 0.0 111.54 -177.022 . . . . . . . . 5 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.145 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 29.0 mmtm -103.46 -21.76 13.74 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 118.721 -1.191 . . . . 0.0 111.155 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.882 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.33 1.7 mp -103.71 -60.7 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 CA-C-O 127.564 3.554 . . . . 0.0 109.384 -175.85 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.818 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.485 57.0 m-85 -77.72 -38.81 46.36 Favored 'General case' 0 C--N 1.257 -3.442 1 CA-C-N 104.853 -5.612 . . . . 0.0 104.942 -179.025 . . . . . . . . 4 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.589 ' O ' ' O ' ' A' ' 5' ' ' LEU . . . 67.08 -74.09 0.18 Allowed Glycine 0 N--CA 1.49 2.295 0 C-N-CA 117.905 -2.093 . . . . 0.0 109.325 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.506 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.316 -1.108 . . . . 0.0 108.812 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.407 ' C1 ' HD13 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.494 ' CA ' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.5 2.962 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.989 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 15.9 mtpt -110.43 3.51 19.73 Favored 'General case' 0 C--O 1.163 -3.462 0 O-C-N 120.822 -1.399 . . . . 0.0 110.982 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.061 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -110.37 -58.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-O 128.151 3.834 . . . . 0.0 110.38 -174.181 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.986 ' H ' HG21 ' A' ' 4' ' ' VAL 0.574 14.9 mt -42.27 -20.91 0.02 OUTLIER 'General case' 1 N--CA 1.348 -5.553 2 CA-C-N 103.957 -6.02 . . . . 0.0 100.788 171.369 . . . . . . . . 5 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.947 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.267 0.4 OUTLIER -116.44 -43.22 2.94 Favored 'General case' 1 N--CA 1.376 -4.169 1 CA-C-N 102.072 -6.876 . . . . 0.0 110.38 -178.334 . . . . . . . . 6 4 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.061 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 4.2 mmtm -90.54 -23.59 20.86 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.544 -2.062 . . . . 0.0 111.358 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.057 ' HB ' ' CD1' ' A' ' 9' ' ' PHE 0.353 1.6 mp -111.44 -62.02 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 CA-C-O 127.113 3.339 . . . . 0.0 110.682 -173.072 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 1.057 ' CD1' ' HB ' ' A' ' 8' ' ' ILE 0.46 57.1 m-85 -68.58 -42.93 77.55 Favored 'General case' 0 C--N 1.269 -2.907 1 CA-C-N 105.609 -5.269 . . . . 0.0 106.648 -178.939 . . . . . . . . 4 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' ASN . . . -90.88 44.58 2.86 Favored Glycine 0 N--CA 1.495 2.575 0 C-N-CA 118.65 -1.738 . . . . 0.0 111.372 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' GLY . 15.0 m120 . . . . . 0 C--N 1.299 -1.6 0 O-C-N 120.819 -1.401 . . . . 0.0 109.623 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.869 ' H41' HG22 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.658 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 1.042 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.3 mmtm -102.68 -21.54 14.1 Favored 'General case' 0 C--O 1.192 -1.945 0 O-C-N 120.901 -1.352 . . . . 0.0 109.464 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.052 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -69.44 -61.74 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.279 -2.485 0 C-N-CA 128.897 2.879 . . . . 0.0 116.153 179.417 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.879 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.59 14.3 mt -41.55 -18.87 0.01 OUTLIER 'General case' 0 N--CA 1.38 -3.968 0 CA-C-O 128.376 3.941 . . . . 0.0 103.598 173.591 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.894 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.283 23.1 t -120.61 -26.21 5.37 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 102.969 -6.469 . . . . 0.0 111.643 -178.489 . . . . . . . . 5 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.052 ' H ' ' C ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -105.44 -25.29 12.41 Favored 'General case' 0 C--N 1.282 -2.328 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.931 178.602 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.997 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.337 1.7 mp -105.33 -61.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.148 0 CA-C-O 127.129 3.347 . . . . 0.0 108.332 -178.041 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.997 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.488 80.7 m-85 -66.72 -37.68 85.17 Favored 'General case' 0 C--N 1.265 -3.068 1 CA-C-N 105.617 -5.265 . . . . 0.0 103.919 177.549 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.481 ' HA2' ' O ' ' A' ' 6' ' ' SER . . . 77.95 140.17 1.46 Allowed Glycine 0 N--CA 1.494 2.554 0 C-N-CA 118.59 -1.766 . . . . 0.0 110.198 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.599 ' O ' ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.445 -1.032 . . . . 0.0 109.468 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.411 ' C4 ' HG22 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.522 ' N ' HD13 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.992 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.894 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -110.35 2.67 19.22 Favored 'General case' 0 C--O 1.184 -2.383 0 CA-C-N 120.212 2.006 . . . . 0.0 112.276 -176.743 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.118 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.431 0.1 OUTLIER -104.71 -56.08 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.069 0 CA-C-O 127.602 3.572 . . . . 0.0 108.076 -174.91 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.83 ' H ' HG22 ' A' ' 4' ' ' VAL 0.578 8.7 mt -41.87 -20.18 0.01 OUTLIER 'General case' 1 N--CA 1.378 -4.058 2 CA-C-N 104.517 -5.765 . . . . 0.0 102.401 170.855 . . . . . . . . 5 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.973 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.274 0.1 OUTLIER -116.05 -41.95 3.12 Favored 'General case' 1 N--CA 1.368 -4.57 2 CA-C-N 101.1 -7.318 . . . . 0.0 111.63 -178.249 . . . . . . . . 6 4 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.118 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 5.5 mmtp -90.72 -25.71 19.89 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.687 -1.605 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.94 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.349 1.6 mp -103.07 -58.71 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 CA-C-O 127.93 3.729 . . . . 0.0 110.179 -174.702 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.94 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.509 80.2 m-85 -72.75 -41.23 65.34 Favored 'General case' 0 C--N 1.249 -3.793 1 CA-C-N 104.311 -5.859 . . . . 0.0 106.115 179.931 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.424 ' HA3' ' HA ' ' A' ' 6' ' ' SER . . . -107.38 25.39 21.77 Favored Glycine 0 N--CA 1.503 3.154 0 C-N-CA 117.638 -2.22 . . . . 0.0 111.481 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 76.7 m-20 . . . . . 0 C--N 1.3 -1.582 0 O-C-N 120.601 -1.529 . . . . 0.0 109.591 178.687 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.632 ' C4 ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.469 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 1.089 ' O ' ' N ' ' A' ' 7' ' ' LYS . 47.6 mmtt -97.58 -17.06 19.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.096 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.444 0.0 OUTLIER -71.38 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 CA-C-O 126.139 2.876 . . . . 0.0 115.777 -179.602 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.914 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.603 13.0 mt -41.06 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.624 1 CA-C-O 128.736 4.113 . . . . 0.0 103.258 174.17 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.91 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.293 1.7 t -119.23 -34.89 3.73 Favored 'General case' 1 N--CA 1.367 -4.621 1 CA-C-N 102.412 -6.722 . . . . 0.0 110.833 -179.121 . . . . . . . . 5 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.096 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 16.4 mmtp -93.67 -28.18 16.13 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.959 -1.496 . . . . 0.0 110.02 177.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.929 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.329 1.7 mp -103.09 -61.34 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.4 0 CA-C-O 127.301 3.429 . . . . 0.0 109.677 -174.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.929 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.48 80.3 m-85 -68.44 -33.12 73.64 Favored 'General case' 0 C--N 1.259 -3.367 1 CA-C-N 105.628 -5.26 . . . . 0.0 104.315 178.625 . . . . . . . . 4 3 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -115.08 51.51 0.71 Allowed Glycine 0 N--CA 1.492 2.376 0 C-N-CA 117.354 -2.355 . . . . 0.0 110.412 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.577 ' O ' ' O ' ' A' ' 10' ' ' GLY . 36.5 m120 . . . . . 0 C--N 1.301 -1.53 0 O-C-N 121.199 -1.177 . . . . 0.0 108.443 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . 0.503 ' C1 ' ' CD1' ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.629 ' H ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.94 ' O ' ' N ' ' A' ' 7' ' ' LYS . 2.8 mtpp -91.97 -16.73 26.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.965 -1.315 . . . . 0.0 110.301 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.151 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.45 0.3 OUTLIER -73.53 -60.55 2.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 129.344 3.058 . . . . 0.0 116.694 179.716 . . . . . . . . 4 4 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.921 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.573 24.6 mt -43.99 -13.49 0.01 OUTLIER 'General case' 0 CA--C 1.456 -2.645 1 CA-C-O 129.305 4.383 . . . . 0.0 101.719 172.367 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.951 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.355 10.3 t -116.92 -43.62 2.86 Favored 'General case' 1 N--CA 1.366 -4.655 2 CA-C-N 101.288 -7.233 . . . . 0.0 111.656 -176.647 . . . . . . . . 5 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.151 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 23.7 mmmt -98.2 -25.72 14.79 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.215 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.88 ' CD1' ' N ' ' A' ' 8' ' ' ILE 0.321 1.7 mp -100.45 -60.96 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.789 0 CA-C-O 127.752 3.644 . . . . 0.0 109.501 -173.759 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.826 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.484 55.7 m-85 -74.95 -32.71 61.79 Favored 'General case' 0 C--N 1.251 -3.691 1 CA-C-N 104.585 -5.734 . . . . 0.0 103.352 179.587 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.6 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -104.45 141.27 15.24 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 118.514 -1.803 . . . . 0.0 111.513 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.6 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.817 0 O-C-N 121.922 -0.752 . . . . 0.0 110.769 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.682 ' C ' ' HZ1' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 1.196 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 mmtm -106.43 -17.43 14.27 Favored 'General case' 0 C--O 1.184 -2.371 0 O-C-N 121.628 -0.925 . . . . 0.0 109.049 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.977 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.491 0.0 OUTLIER -58.21 -61.27 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.776 0 C-N-CA 131.222 3.809 . . . . 0.0 113.473 176.728 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.919 ' H ' ' CG2' ' A' ' 4' ' ' VAL 0.53 8.2 mt -40.5 -24.3 0.02 OUTLIER 'General case' 1 CA--C 1.42 -4.036 1 CA-C-N 107.671 -4.331 . . . . 0.0 104.113 172.8 . . . . . . . . 5 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.835 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.32 19.6 t -124.81 -21.79 4.68 Favored 'General case' 2 N--CA 1.356 -5.142 1 CA-C-N 104.949 -5.569 . . . . 0.0 110.123 178.556 . . . . . . . . 5 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 3' ' ' LYS 0.271 31.3 mmtt -101.77 -50.53 3.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.296 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.37 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.312 0.0 OUTLIER -73.4 -71.7 0.2 Allowed 'Isoleucine or valine' 1 N--CA 1.337 -6.092 0 N-CA-C 100.646 -3.835 . . . . 0.0 100.646 170.781 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 1.37 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.302 62.4 m-85 -44.49 -22.0 0.06 Allowed 'General case' 0 C--N 1.26 -3.314 1 CA-C-N 107.11 -4.587 . . . . 0.0 103.359 -177.89 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.633 ' N ' ' C ' ' A' ' 8' ' ' ILE . . . 72.55 143.19 0.48 Allowed Glycine 0 N--CA 1.494 2.522 0 C-N-CA 118.47 -1.824 . . . . 0.0 111.189 174.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.712 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.879 -0.777 . . . . 0.0 109.262 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.57 ' H ' ' CG2' ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.487 2.082 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 1.092 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.65 2.39 18.55 Favored 'General case' 0 C--O 1.181 -2.507 0 O-C-N 121.229 -1.16 . . . . 0.0 109.99 -179.465 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 1.022 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.482 0.0 OUTLIER -65.7 -56.49 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.735 1 C-N-CA 132.212 4.205 . . . . 0.0 108.802 177.926 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.857 ' H ' HG22 ' A' ' 4' ' ' VAL 0.519 5.4 mt -41.95 -25.65 0.07 Allowed 'General case' 0 CA--C 1.424 -3.876 1 CA-C-N 104.163 -5.926 . . . . 0.0 103.332 170.268 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.815 ' C ' ' O ' ' A' ' 3' ' ' LYS 0.294 5.5 t -127.16 -11.1 5.87 Favored 'General case' 2 N--CA 1.363 -4.806 1 CA-C-N 105.833 -5.167 . . . . 0.0 110.526 178.989 . . . . . . . . 5 3 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . 1.092 ' N ' ' O ' ' A' ' 3' ' ' LYS . 25.8 mmmt -108.08 -53.35 2.64 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 1.368 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.327 0.0 OUTLIER -73.29 -72.04 0.18 Allowed 'Isoleucine or valine' 1 N--CA 1.335 -6.221 0 N-CA-C 101.293 -3.595 . . . . 0.0 101.293 171.362 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 1.368 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.327 54.8 m-85 -48.59 -22.39 0.75 Allowed 'General case' 0 C--N 1.258 -3.41 1 CA-C-N 106.75 -4.75 . . . . 0.0 103.267 -178.147 . . . . . . . . 4 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.635 ' CA ' ' O ' ' A' ' 6' ' ' SER . . . -41.33 101.32 0.02 OUTLIER Glycine 0 N--CA 1.485 1.926 0 CA-C-N 113.904 -1.498 . . . . 0.0 110.312 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -99.46 -16.58 18.3 Favored 'General case' 0 C--O 1.197 -1.679 0 O-C-N 121.35 -1.088 . . . . 0.0 109.315 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.236 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.449 0.2 OUTLIER -72.06 -60.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 129.289 3.036 . . . . 0.0 116.682 179.627 . . . . . . . . 4 4 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.977 ' H ' HG23 ' A' ' 4' ' ' VAL 0.588 20.9 mt -43.39 -15.58 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.822 1 CA-C-O 129.279 4.371 . . . . 0.0 101.778 172.471 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.956 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.305 4.8 t -117.19 -38.61 3.33 Favored 'General case' 1 N--CA 1.372 -4.331 2 CA-C-N 101.389 -7.187 . . . . 0.0 111.709 -177.206 . . . . . . . . 5 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.236 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 8.6 mmtm -102.89 -21.79 13.95 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.111 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.978 ' N ' HD12 ' A' ' 8' ' ' ILE 0.335 1.7 mp -104.0 -61.07 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 127.662 3.601 . . . . 0.0 109.496 -175.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.907 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.49 56.8 m-85 . . . . . 0 C--N 1.256 -3.474 1 CA-C-N 104.692 -5.686 . . . . 0.0 104.544 -179.705 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -103.9 -19.33 14.28 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.122 -1.222 . . . . 0.0 109.116 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.267 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.454 0.1 OUTLIER -73.7 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 129.745 3.218 . . . . 0.0 116.885 179.845 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.006 ' H ' HG23 ' A' ' 4' ' ' VAL 0.578 23.2 mt -43.74 -14.42 0.01 OUTLIER 'General case' 0 CA--C 1.453 -2.756 1 CA-C-O 129.337 4.399 . . . . 0.0 101.287 172.286 . . . . . . . . 4 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.977 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.313 7.6 t -116.65 -41.41 3.08 Favored 'General case' 1 N--CA 1.376 -4.127 2 CA-C-N 101.016 -7.357 . . . . 0.0 112.166 -176.803 . . . . . . . . 5 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.267 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -101.63 -23.53 14.25 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 119.082 -1.047 . . . . 0.0 110.924 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.98 ' CD1' HG12 ' A' ' 4' ' ' VAL 0.346 1.7 mp -102.32 -53.64 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.939 0 CA-C-O 128.014 3.769 . . . . 0.0 110.009 -174.687 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.922 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.475 59.3 m-85 . . . . . 0 C--N 1.246 -3.9 1 CA-C-N 104.073 -5.967 . . . . 0.0 104.971 -176.738 . . . . . . . . 3 2 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.782 ' C ' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.496 2.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.04 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -111.57 -22.64 11.13 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.087 HG12 HD13 ' A' ' 8' ' ' ILE 0.427 0.0 OUTLIER -59.86 -61.68 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.436 -3.408 0 C-N-CA 131.483 3.913 . . . . 0.0 114.559 178.111 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.141 ' HA ' ' CB ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -44.74 -12.87 0.02 OUTLIER 'General case' 2 N--CA 1.362 -4.859 0 CA-C-N 108.53 -3.941 . . . . 0.0 102.935 178.086 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 6' ' ' SER . . . . . 1.011 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -125.24 -30.58 3.15 Favored 'General case' 0 N--CA 1.389 -3.519 1 CA-C-N 107.762 -4.29 . . . . 0.0 110.726 168.996 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.04 ' N ' ' O ' ' A' ' 3' ' ' LYS . 10.2 mmtp -79.11 -41.72 27.97 Favored 'General case' 0 N--CA 1.416 -2.154 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.087 HD13 HG12 ' A' ' 4' ' ' VAL 0.337 1.6 mp -113.55 -63.69 1.9 Allowed 'Isoleucine or valine' 1 N--CA 1.357 -5.086 0 CA-C-O 124.203 1.954 . . . . 0.0 111.545 -178.772 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 1.141 ' CB ' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.433 -1.293 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.908 -171.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.607 ' C ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.808 ' O ' ' HB3' ' A' ' 6' ' ' SER . 0.0 OUTLIER -109.72 9.08 24.95 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.577 -1.543 . . . . 0.0 110.777 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.165 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.435 0.1 OUTLIER -79.0 -51.08 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.989 0 CA-C-O 128.388 3.947 . . . . 0.0 107.78 179.024 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.036 ' H ' HG23 ' A' ' 4' ' ' VAL 0.624 12.6 mt -41.04 -20.59 0.01 OUTLIER 'General case' 0 N--CA 1.379 -3.976 2 CA-C-N 104.247 -5.888 . . . . 0.0 102.688 169.109 . . . . . . . . 4 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.915 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.308 0.1 OUTLIER -121.9 -20.02 6.5 Favored 'General case' 1 N--CA 1.372 -4.347 1 CA-C-N 102.493 -6.685 . . . . 0.0 112.156 -178.345 . . . . . . . . 6 4 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.165 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -102.01 -30.99 10.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.834 -1.166 . . . . 0.0 108.508 174.158 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.093 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.352 1.5 mp -101.26 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.057 0 CA-C-O 127.603 3.573 . . . . 0.0 110.079 -173.335 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 1.093 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.519 86.1 m-85 . . . . . 0 C--N 1.258 -3.395 1 CA-C-N 104.801 -5.636 . . . . 0.0 104.597 179.918 . . . . . . . . 3 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.649 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.429 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.954 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.5 ptpt -108.06 -19.6 13.45 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 121.26 -1.141 . . . . 0.0 108.771 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.237 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.453 0.3 OUTLIER -72.92 -60.78 2.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 129.445 3.098 . . . . 0.0 116.645 178.887 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.971 ' N ' HG23 ' A' ' 4' ' ' VAL 0.577 22.7 mt -43.78 -14.49 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.821 1 CA-C-O 129.003 4.239 . . . . 0.0 101.932 172.02 . . . . . . . . 4 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.968 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.324 7.0 t -117.73 -38.8 3.21 Favored 'General case' 1 N--CA 1.372 -4.356 2 CA-C-N 101.727 -7.033 . . . . 0.0 111.54 -177.022 . . . . . . . . 5 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.237 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 29.0 mmtm -103.46 -21.76 13.74 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 118.721 -1.191 . . . . 0.0 111.155 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.984 ' N ' HD12 ' A' ' 8' ' ' ILE 0.33 1.7 mp -103.71 -60.7 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 CA-C-O 127.564 3.554 . . . . 0.0 109.384 -175.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.895 ' HB2' ' CA ' ' A' ' 5' ' ' LEU 0.485 57.0 m-85 . . . . . 0 C--N 1.257 -3.442 1 CA-C-N 104.853 -5.612 . . . . 0.0 104.942 -179.025 . . . . . . . . 3 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.5 2.962 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.001 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 15.9 mtpt -110.43 3.51 19.73 Favored 'General case' 0 C--O 1.163 -3.462 0 O-C-N 120.822 -1.399 . . . . 0.0 110.982 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.119 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -110.37 -58.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-O 128.151 3.834 . . . . 0.0 110.38 -174.181 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.985 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.574 14.9 mt -42.27 -20.91 0.02 OUTLIER 'General case' 1 N--CA 1.348 -5.553 2 CA-C-N 103.957 -6.02 . . . . 0.0 100.788 171.369 . . . . . . . . 5 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.947 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.267 0.4 OUTLIER -116.44 -43.22 2.94 Favored 'General case' 1 N--CA 1.376 -4.169 1 CA-C-N 102.072 -6.876 . . . . 0.0 110.38 -178.334 . . . . . . . . 6 4 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.119 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 4.2 mmtm -90.54 -23.59 20.86 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.544 -2.062 . . . . 0.0 111.358 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.195 ' HB ' ' CD1' ' A' ' 9' ' ' PHE 0.353 1.6 mp -111.44 -62.02 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 CA-C-O 127.113 3.339 . . . . 0.0 110.682 -173.072 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 1.195 ' CD1' ' HB ' ' A' ' 8' ' ' ILE 0.46 57.1 m-85 . . . . . 0 C--N 1.269 -2.907 1 CA-C-N 105.609 -5.269 . . . . 0.0 106.648 -178.939 . . . . . . . . 3 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.658 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.042 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.3 mmtm -102.68 -21.54 14.1 Favored 'General case' 0 C--O 1.192 -1.945 0 O-C-N 120.901 -1.352 . . . . 0.0 109.464 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.101 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -69.44 -61.74 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.279 -2.485 0 C-N-CA 128.897 2.879 . . . . 0.0 116.153 179.417 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.077 ' H ' HG23 ' A' ' 4' ' ' VAL 0.59 14.3 mt -41.55 -18.87 0.01 OUTLIER 'General case' 0 N--CA 1.38 -3.968 0 CA-C-O 128.376 3.941 . . . . 0.0 103.598 173.591 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.894 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.283 23.1 t -120.61 -26.21 5.37 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 102.969 -6.469 . . . . 0.0 111.643 -178.489 . . . . . . . . 5 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.101 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -105.44 -25.29 12.41 Favored 'General case' 0 C--N 1.282 -2.328 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.931 178.602 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.145 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.337 1.7 mp -105.33 -61.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.148 0 CA-C-O 127.129 3.347 . . . . 0.0 108.332 -178.041 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 1.145 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.488 80.7 m-85 . . . . . 0 C--N 1.265 -3.068 1 CA-C-N 105.617 -5.265 . . . . 0.0 103.919 177.549 . . . . . . . . 3 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.558 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.992 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.9 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -110.35 2.67 19.22 Favored 'General case' 0 C--O 1.184 -2.383 0 CA-C-N 120.212 2.006 . . . . 0.0 112.276 -176.743 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.169 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.431 0.1 OUTLIER -104.71 -56.08 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.069 0 CA-C-O 127.602 3.572 . . . . 0.0 108.076 -174.91 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.962 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.578 8.7 mt -41.87 -20.18 0.01 OUTLIER 'General case' 1 N--CA 1.378 -4.058 2 CA-C-N 104.517 -5.765 . . . . 0.0 102.401 170.855 . . . . . . . . 5 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.973 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.274 0.1 OUTLIER -116.05 -41.95 3.12 Favored 'General case' 1 N--CA 1.368 -4.57 2 CA-C-N 101.1 -7.318 . . . . 0.0 111.63 -178.249 . . . . . . . . 6 4 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.169 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 5.5 mmtp -90.72 -25.71 19.89 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.687 -1.605 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.097 ' CD1' HG12 ' A' ' 4' ' ' VAL 0.349 1.6 mp -103.07 -58.71 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 CA-C-O 127.93 3.729 . . . . 0.0 110.179 -174.702 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 1.068 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.509 80.2 m-85 . . . . . 0 C--N 1.249 -3.793 1 CA-C-N 104.311 -5.859 . . . . 0.0 106.115 179.931 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.447 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.089 ' O ' ' N ' ' A' ' 7' ' ' LYS . 47.6 mmtt -97.58 -17.06 19.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.169 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.444 0.0 OUTLIER -71.38 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 CA-C-O 126.139 2.876 . . . . 0.0 115.777 -179.602 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.085 ' H ' HG23 ' A' ' 4' ' ' VAL 0.603 13.0 mt -41.06 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.624 1 CA-C-O 128.736 4.113 . . . . 0.0 103.258 174.17 . . . . . . . . 4 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.91 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.293 1.7 t -119.23 -34.89 3.73 Favored 'General case' 1 N--CA 1.367 -4.621 1 CA-C-N 102.412 -6.722 . . . . 0.0 110.833 -179.121 . . . . . . . . 5 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.169 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 16.4 mmtp -93.67 -28.18 16.13 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.959 -1.496 . . . . 0.0 110.02 177.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.06 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.329 1.7 mp -103.09 -61.34 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.4 0 CA-C-O 127.301 3.429 . . . . 0.0 109.677 -174.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 1.06 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.48 80.3 m-85 . . . . . 0 C--N 1.259 -3.367 1 CA-C-N 105.628 -5.26 . . . . 0.0 104.315 178.625 . . . . . . . . 3 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.538 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.94 ' O ' ' N ' ' A' ' 7' ' ' LYS . 2.8 mtpp -91.97 -16.73 26.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.965 -1.315 . . . . 0.0 110.301 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.241 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.45 0.3 OUTLIER -73.53 -60.55 2.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 129.344 3.058 . . . . 0.0 116.694 179.716 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.991 ' N ' HG23 ' A' ' 4' ' ' VAL 0.573 24.6 mt -43.99 -13.49 0.01 OUTLIER 'General case' 0 CA--C 1.456 -2.645 1 CA-C-O 129.305 4.383 . . . . 0.0 101.719 172.367 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.951 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.355 10.3 t -116.92 -43.62 2.86 Favored 'General case' 1 N--CA 1.366 -4.655 2 CA-C-N 101.288 -7.233 . . . . 0.0 111.656 -176.647 . . . . . . . . 5 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.241 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 23.7 mmmt -98.2 -25.72 14.79 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.215 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.974 ' N ' HD12 ' A' ' 8' ' ' ILE 0.321 1.7 mp -100.45 -60.96 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.789 0 CA-C-O 127.752 3.644 . . . . 0.0 109.501 -173.759 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.897 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.484 55.7 m-85 . . . . . 0 C--N 1.251 -3.691 1 CA-C-N 104.585 -5.734 . . . . 0.0 103.352 179.587 . . . . . . . . 3 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.42 ' C ' ' HZ2' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.196 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 mmtm -106.43 -17.43 14.27 Favored 'General case' 0 C--O 1.184 -2.371 0 O-C-N 121.628 -0.925 . . . . 0.0 109.049 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.087 HG23 ' H ' ' A' ' 5' ' ' LEU 0.491 0.0 OUTLIER -58.21 -61.27 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.776 0 C-N-CA 131.222 3.809 . . . . 0.0 113.473 176.728 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.087 ' H ' HG23 ' A' ' 4' ' ' VAL 0.53 8.2 mt -40.5 -24.3 0.02 OUTLIER 'General case' 1 CA--C 1.42 -4.036 1 CA-C-N 107.671 -4.331 . . . . 0.0 104.113 172.8 . . . . . . . . 5 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.835 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.32 19.6 t -124.81 -21.79 4.68 Favored 'General case' 2 N--CA 1.356 -5.142 1 CA-C-N 104.949 -5.569 . . . . 0.0 110.123 178.556 . . . . . . . . 5 3 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 3' ' ' LYS 0.271 31.3 mmtt -101.77 -50.53 3.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.296 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.37 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.312 0.0 OUTLIER -73.4 -71.7 0.2 Allowed 'Isoleucine or valine' 1 N--CA 1.337 -6.092 0 N-CA-C 100.646 -3.835 . . . . 0.0 100.646 170.781 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 1.37 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.302 62.4 m-85 . . . . . 0 C--N 1.26 -3.314 1 CA-C-N 107.11 -4.587 . . . . 0.0 103.359 -177.89 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLY . . . . . 0.427 ' N ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.487 2.082 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 1.092 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.65 2.39 18.55 Favored 'General case' 0 C--O 1.181 -2.507 0 O-C-N 121.229 -1.16 . . . . 0.0 109.99 -179.465 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 1.08 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.482 0.0 OUTLIER -65.7 -56.49 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.735 1 C-N-CA 132.212 4.205 . . . . 0.0 108.802 177.926 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.013 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.519 5.4 mt -41.95 -25.65 0.07 Allowed 'General case' 0 CA--C 1.424 -3.876 1 CA-C-N 104.163 -5.926 . . . . 0.0 103.332 170.268 . . . . . . . . 4 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' SER . . . . . 0.815 ' C ' ' O ' ' A' ' 3' ' ' LYS 0.294 5.5 t -127.16 -11.1 5.87 Favored 'General case' 2 N--CA 1.363 -4.806 1 CA-C-N 105.833 -5.167 . . . . 0.0 110.526 178.989 . . . . . . . . 5 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 1.092 ' N ' ' O ' ' A' ' 3' ' ' LYS . 25.8 mmmt -108.08 -53.35 2.64 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 1.368 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.327 0.0 OUTLIER -73.29 -72.04 0.18 Allowed 'Isoleucine or valine' 1 N--CA 1.335 -6.221 0 N-CA-C 101.293 -3.595 . . . . 0.0 101.293 171.362 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 1.368 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.327 54.8 m-85 . . . . . 0 C--N 1.258 -3.41 1 CA-C-N 106.75 -4.75 . . . . 0.0 103.267 -178.147 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -99.46 -16.58 18.3 Favored 'General case' 0 C--O 1.197 -1.679 0 O-C-N 121.35 -1.088 . . . . 0.0 109.315 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.236 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.449 0.2 OUTLIER -72.06 -60.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 129.289 3.036 . . . . 0.0 116.682 179.627 . . . . . . . . 4 4 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.977 ' H ' HG23 ' A' ' 4' ' ' VAL 0.588 20.9 mt -43.39 -15.58 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.822 1 CA-C-O 129.279 4.371 . . . . 0.0 101.778 172.471 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.956 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.305 4.8 t -117.19 -38.61 3.33 Favored 'General case' 1 N--CA 1.372 -4.331 2 CA-C-N 101.389 -7.187 . . . . 0.0 111.709 -177.206 . . . . . . . . 5 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.236 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 8.6 mmtm -102.89 -21.79 13.95 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.111 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.978 ' N ' HD12 ' A' ' 8' ' ' ILE 0.335 1.7 mp -104.0 -61.07 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 127.662 3.601 . . . . 0.0 109.496 -175.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.907 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.49 56.8 m-85 -74.9 -37.83 62.0 Favored 'General case' 0 C--N 1.256 -3.474 1 CA-C-N 104.692 -5.686 . . . . 0.0 104.544 -179.705 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.575 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . 55.77 151.86 0.01 OUTLIER Glycine 0 N--CA 1.49 2.297 0 C-N-CA 118.333 -1.889 . . . . 0.0 109.41 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.206 -1.173 . . . . 0.0 109.007 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.693 ' H22' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -103.9 -19.33 14.28 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.122 -1.222 . . . . 0.0 109.116 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.267 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.454 0.1 OUTLIER -73.7 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 129.745 3.218 . . . . 0.0 116.885 179.845 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.006 ' H ' HG23 ' A' ' 4' ' ' VAL 0.578 23.2 mt -43.74 -14.42 0.01 OUTLIER 'General case' 0 CA--C 1.453 -2.756 1 CA-C-O 129.337 4.399 . . . . 0.0 101.287 172.286 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.977 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.313 7.6 t -116.65 -41.41 3.08 Favored 'General case' 1 N--CA 1.376 -4.127 2 CA-C-N 101.016 -7.357 . . . . 0.0 112.166 -176.803 . . . . . . . . 5 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.267 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -101.63 -23.53 14.25 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 119.082 -1.047 . . . . 0.0 110.924 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.98 ' CD1' HG12 ' A' ' 4' ' ' VAL 0.346 1.7 mp -102.32 -53.64 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.939 0 CA-C-O 128.014 3.769 . . . . 0.0 110.009 -174.687 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.922 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.475 59.3 m-85 -84.51 -34.97 23.22 Favored 'General case' 0 C--N 1.246 -3.9 1 CA-C-N 104.073 -5.967 . . . . 0.0 104.971 -176.738 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.621 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -122.84 175.19 16.5 Favored Glycine 0 N--CA 1.502 3.051 0 C-N-CA 117.476 -2.297 . . . . 0.0 112.807 -178.407 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 N--CA 1.496 1.838 0 O-C-N 122.105 -0.644 . . . . 0.0 110.726 179.295 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.693 ' H22' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.782 ' C ' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.496 2.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.04 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -111.57 -22.64 11.13 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.087 HG12 HD13 ' A' ' 8' ' ' ILE 0.427 0.0 OUTLIER -59.86 -61.68 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.436 -3.408 0 C-N-CA 131.483 3.913 . . . . 0.0 114.559 178.111 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.141 ' HA ' ' CB ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -44.74 -12.87 0.02 OUTLIER 'General case' 2 N--CA 1.362 -4.859 0 CA-C-N 108.53 -3.941 . . . . 0.0 102.935 178.086 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . 1.011 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -125.24 -30.58 3.15 Favored 'General case' 0 N--CA 1.389 -3.519 1 CA-C-N 107.762 -4.29 . . . . 0.0 110.726 168.996 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.04 ' N ' ' O ' ' A' ' 3' ' ' LYS . 10.2 mmtp -79.11 -41.72 27.97 Favored 'General case' 0 N--CA 1.416 -2.154 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.087 HD13 HG12 ' A' ' 4' ' ' VAL 0.337 1.6 mp -113.55 -63.69 1.9 Allowed 'Isoleucine or valine' 1 N--CA 1.357 -5.086 0 CA-C-O 124.203 1.954 . . . . 0.0 111.545 -178.772 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 1.141 ' CB ' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -66.42 -4.87 9.1 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.908 -171.78 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' HA3' ' O ' ' A' ' 5' ' ' LEU . . . -158.78 -173.75 27.59 Favored Glycine 0 N--CA 1.511 3.639 0 C-N-CA 119.451 -1.356 . . . . 0.0 110.488 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.587 ' O ' ' O ' ' A' ' 10' ' ' GLY . 10.5 t30 . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.919 -0.753 . . . . 0.0 110.965 179.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.782 ' O1 ' ' N ' ' A' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.607 ' C ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.808 ' O ' ' HB3' ' A' ' 6' ' ' SER . 0.0 OUTLIER -109.72 9.08 24.95 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.577 -1.543 . . . . 0.0 110.777 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.165 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.435 0.1 OUTLIER -79.0 -51.08 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.989 0 CA-C-O 128.388 3.947 . . . . 0.0 107.78 179.024 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.036 ' H ' HG23 ' A' ' 4' ' ' VAL 0.624 12.6 mt -41.04 -20.59 0.01 OUTLIER 'General case' 0 N--CA 1.379 -3.976 2 CA-C-N 104.247 -5.888 . . . . 0.0 102.688 169.109 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.915 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.308 0.1 OUTLIER -121.9 -20.02 6.5 Favored 'General case' 1 N--CA 1.372 -4.347 1 CA-C-N 102.493 -6.685 . . . . 0.0 112.156 -178.345 . . . . . . . . 6 4 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.165 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -102.01 -30.99 10.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.834 -1.166 . . . . 0.0 108.508 174.158 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.093 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.352 1.5 mp -101.26 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.057 0 CA-C-O 127.603 3.573 . . . . 0.0 110.079 -173.335 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 1.093 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.519 86.1 m-85 -74.59 -38.45 62.62 Favored 'General case' 0 C--N 1.258 -3.395 1 CA-C-N 104.801 -5.636 . . . . 0.0 104.597 179.918 . . . . . . . . 4 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 6' ' ' SER . . . -42.28 138.26 2.73 Favored Glycine 0 N--CA 1.489 2.21 0 C-N-CA 118.76 -1.686 . . . . 0.0 109.99 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.751 -0.853 . . . . 0.0 109.489 179.603 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.587 ' H31' HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.649 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.429 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.954 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.5 ptpt -108.06 -19.6 13.45 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 121.26 -1.141 . . . . 0.0 108.771 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.237 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.453 0.3 OUTLIER -72.92 -60.78 2.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 129.445 3.098 . . . . 0.0 116.645 178.887 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.971 ' N ' HG23 ' A' ' 4' ' ' VAL 0.577 22.7 mt -43.78 -14.49 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.821 1 CA-C-O 129.003 4.239 . . . . 0.0 101.932 172.02 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.968 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.324 7.0 t -117.73 -38.8 3.21 Favored 'General case' 1 N--CA 1.372 -4.356 2 CA-C-N 101.727 -7.033 . . . . 0.0 111.54 -177.022 . . . . . . . . 5 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.237 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 29.0 mmtm -103.46 -21.76 13.74 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 118.721 -1.191 . . . . 0.0 111.155 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.984 ' N ' HD12 ' A' ' 8' ' ' ILE 0.33 1.7 mp -103.71 -60.7 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 CA-C-O 127.564 3.554 . . . . 0.0 109.384 -175.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.895 ' HB2' ' CA ' ' A' ' 5' ' ' LEU 0.485 57.0 m-85 -77.72 -38.81 46.36 Favored 'General case' 0 C--N 1.257 -3.442 1 CA-C-N 104.853 -5.612 . . . . 0.0 104.942 -179.025 . . . . . . . . 4 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.589 ' O ' ' O ' ' A' ' 5' ' ' LEU . . . 67.08 -74.09 0.18 Allowed Glycine 0 N--CA 1.49 2.295 0 C-N-CA 117.905 -2.093 . . . . 0.0 109.325 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.506 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.316 -1.108 . . . . 0.0 108.812 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.678 ' C4 ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.5 2.962 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.001 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 15.9 mtpt -110.43 3.51 19.73 Favored 'General case' 0 C--O 1.163 -3.462 0 O-C-N 120.822 -1.399 . . . . 0.0 110.982 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.119 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -110.37 -58.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-O 128.151 3.834 . . . . 0.0 110.38 -174.181 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.985 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.574 14.9 mt -42.27 -20.91 0.02 OUTLIER 'General case' 1 N--CA 1.348 -5.553 2 CA-C-N 103.957 -6.02 . . . . 0.0 100.788 171.369 . . . . . . . . 5 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.947 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.267 0.4 OUTLIER -116.44 -43.22 2.94 Favored 'General case' 1 N--CA 1.376 -4.169 1 CA-C-N 102.072 -6.876 . . . . 0.0 110.38 -178.334 . . . . . . . . 6 4 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.119 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 4.2 mmtm -90.54 -23.59 20.86 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.544 -2.062 . . . . 0.0 111.358 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.195 ' HB ' ' CD1' ' A' ' 9' ' ' PHE 0.353 1.6 mp -111.44 -62.02 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 CA-C-O 127.113 3.339 . . . . 0.0 110.682 -173.072 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 1.195 ' CD1' ' HB ' ' A' ' 8' ' ' ILE 0.46 57.1 m-85 -68.58 -42.93 77.55 Favored 'General case' 0 C--N 1.269 -2.907 1 CA-C-N 105.609 -5.269 . . . . 0.0 106.648 -178.939 . . . . . . . . 4 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' ASN . . . -90.88 44.58 2.86 Favored Glycine 0 N--CA 1.495 2.575 0 C-N-CA 118.65 -1.738 . . . . 0.0 111.372 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' GLY . 15.0 m120 . . . . . 0 C--N 1.299 -1.6 0 O-C-N 120.819 -1.401 . . . . 0.0 109.623 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.958 ' H42' HG22 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.658 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.042 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.3 mmtm -102.68 -21.54 14.1 Favored 'General case' 0 C--O 1.192 -1.945 0 O-C-N 120.901 -1.352 . . . . 0.0 109.464 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.101 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -69.44 -61.74 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.279 -2.485 0 C-N-CA 128.897 2.879 . . . . 0.0 116.153 179.417 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.077 ' H ' HG23 ' A' ' 4' ' ' VAL 0.59 14.3 mt -41.55 -18.87 0.01 OUTLIER 'General case' 0 N--CA 1.38 -3.968 0 CA-C-O 128.376 3.941 . . . . 0.0 103.598 173.591 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.894 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.283 23.1 t -120.61 -26.21 5.37 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 102.969 -6.469 . . . . 0.0 111.643 -178.489 . . . . . . . . 5 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.101 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -105.44 -25.29 12.41 Favored 'General case' 0 C--N 1.282 -2.328 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.931 178.602 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.145 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.337 1.7 mp -105.33 -61.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.148 0 CA-C-O 127.129 3.347 . . . . 0.0 108.332 -178.041 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 1.145 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.488 80.7 m-85 -66.72 -37.68 85.17 Favored 'General case' 0 C--N 1.265 -3.068 1 CA-C-N 105.617 -5.265 . . . . 0.0 103.919 177.549 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 6' ' ' SER . . . 77.95 140.17 1.46 Allowed Glycine 0 N--CA 1.494 2.554 0 C-N-CA 118.59 -1.766 . . . . 0.0 110.198 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.6 ' N ' ' HA ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.445 -1.032 . . . . 0.0 109.468 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.548 ' H22' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.558 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.992 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.9 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -110.35 2.67 19.22 Favored 'General case' 0 C--O 1.184 -2.383 0 CA-C-N 120.212 2.006 . . . . 0.0 112.276 -176.743 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.169 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.431 0.1 OUTLIER -104.71 -56.08 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.069 0 CA-C-O 127.602 3.572 . . . . 0.0 108.076 -174.91 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.962 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.578 8.7 mt -41.87 -20.18 0.01 OUTLIER 'General case' 1 N--CA 1.378 -4.058 2 CA-C-N 104.517 -5.765 . . . . 0.0 102.401 170.855 . . . . . . . . 5 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.973 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.274 0.1 OUTLIER -116.05 -41.95 3.12 Favored 'General case' 1 N--CA 1.368 -4.57 2 CA-C-N 101.1 -7.318 . . . . 0.0 111.63 -178.249 . . . . . . . . 6 4 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.169 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 5.5 mmtp -90.72 -25.71 19.89 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.687 -1.605 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.097 ' CD1' HG12 ' A' ' 4' ' ' VAL 0.349 1.6 mp -103.07 -58.71 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 CA-C-O 127.93 3.729 . . . . 0.0 110.179 -174.702 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 1.068 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.509 80.2 m-85 -72.75 -41.23 65.34 Favored 'General case' 0 C--N 1.249 -3.793 1 CA-C-N 104.311 -5.859 . . . . 0.0 106.115 179.931 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 6' ' ' SER . . . -107.38 25.39 21.77 Favored Glycine 0 N--CA 1.503 3.154 0 C-N-CA 117.638 -2.22 . . . . 0.0 111.481 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 7' ' ' LYS . 76.7 m-20 . . . . . 0 C--N 1.3 -1.582 0 O-C-N 120.601 -1.529 . . . . 0.0 109.591 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.847 ' H42' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.447 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.089 ' O ' ' N ' ' A' ' 7' ' ' LYS . 47.6 mmtt -97.58 -17.06 19.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.169 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.444 0.0 OUTLIER -71.38 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 CA-C-O 126.139 2.876 . . . . 0.0 115.777 -179.602 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.085 ' H ' HG23 ' A' ' 4' ' ' VAL 0.603 13.0 mt -41.06 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.624 1 CA-C-O 128.736 4.113 . . . . 0.0 103.258 174.17 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.91 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.293 1.7 t -119.23 -34.89 3.73 Favored 'General case' 1 N--CA 1.367 -4.621 1 CA-C-N 102.412 -6.722 . . . . 0.0 110.833 -179.121 . . . . . . . . 5 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.169 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 16.4 mmtp -93.67 -28.18 16.13 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.959 -1.496 . . . . 0.0 110.02 177.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.06 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.329 1.7 mp -103.09 -61.34 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.4 0 CA-C-O 127.301 3.429 . . . . 0.0 109.677 -174.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 1.06 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.48 80.3 m-85 -68.44 -33.12 73.64 Favored 'General case' 0 C--N 1.259 -3.367 1 CA-C-N 105.628 -5.26 . . . . 0.0 104.315 178.625 . . . . . . . . 4 3 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -115.08 51.51 0.71 Allowed Glycine 0 N--CA 1.492 2.376 0 C-N-CA 117.354 -2.355 . . . . 0.0 110.412 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.577 ' O ' ' O ' ' A' ' 10' ' ' GLY . 36.5 m120 . . . . . 0 C--N 1.301 -1.53 0 O-C-N 121.199 -1.177 . . . . 0.0 108.443 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.561 H142 H101 ' A' ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.538 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.94 ' O ' ' N ' ' A' ' 7' ' ' LYS . 2.8 mtpp -91.97 -16.73 26.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.965 -1.315 . . . . 0.0 110.301 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.241 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.45 0.3 OUTLIER -73.53 -60.55 2.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 129.344 3.058 . . . . 0.0 116.694 179.716 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.991 ' N ' HG23 ' A' ' 4' ' ' VAL 0.573 24.6 mt -43.99 -13.49 0.01 OUTLIER 'General case' 0 CA--C 1.456 -2.645 1 CA-C-O 129.305 4.383 . . . . 0.0 101.719 172.367 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.951 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.355 10.3 t -116.92 -43.62 2.86 Favored 'General case' 1 N--CA 1.366 -4.655 2 CA-C-N 101.288 -7.233 . . . . 0.0 111.656 -176.647 . . . . . . . . 5 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.241 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 23.7 mmmt -98.2 -25.72 14.79 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.215 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.974 ' N ' HD12 ' A' ' 8' ' ' ILE 0.321 1.7 mp -100.45 -60.96 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.789 0 CA-C-O 127.752 3.644 . . . . 0.0 109.501 -173.759 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.897 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.484 55.7 m-85 -74.95 -32.71 61.79 Favored 'General case' 0 C--N 1.251 -3.691 1 CA-C-N 104.585 -5.734 . . . . 0.0 103.352 179.587 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.6 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -104.45 141.27 15.24 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 118.514 -1.803 . . . . 0.0 111.513 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.6 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.817 0 O-C-N 121.922 -0.752 . . . . 0.0 110.769 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.624 ' H41' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' C ' ' HZ2' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.196 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 mmtm -106.43 -17.43 14.27 Favored 'General case' 0 C--O 1.184 -2.371 0 O-C-N 121.628 -0.925 . . . . 0.0 109.049 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.087 HG23 ' H ' ' A' ' 5' ' ' LEU 0.491 0.0 OUTLIER -58.21 -61.27 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.776 0 C-N-CA 131.222 3.809 . . . . 0.0 113.473 176.728 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.087 ' H ' HG23 ' A' ' 4' ' ' VAL 0.53 8.2 mt -40.5 -24.3 0.02 OUTLIER 'General case' 1 CA--C 1.42 -4.036 1 CA-C-N 107.671 -4.331 . . . . 0.0 104.113 172.8 . . . . . . . . 5 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.835 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.32 19.6 t -124.81 -21.79 4.68 Favored 'General case' 2 N--CA 1.356 -5.142 1 CA-C-N 104.949 -5.569 . . . . 0.0 110.123 178.556 . . . . . . . . 5 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 3' ' ' LYS 0.271 31.3 mmtt -101.77 -50.53 3.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.296 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.37 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.312 0.0 OUTLIER -73.4 -71.7 0.2 Allowed 'Isoleucine or valine' 1 N--CA 1.337 -6.092 0 N-CA-C 100.646 -3.835 . . . . 0.0 100.646 170.781 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 1.37 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.302 62.4 m-85 -44.49 -22.0 0.06 Allowed 'General case' 0 C--N 1.26 -3.314 1 CA-C-N 107.11 -4.587 . . . . 0.0 103.359 -177.89 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.633 ' N ' ' C ' ' A' ' 8' ' ' ILE . . . 72.55 143.19 0.48 Allowed Glycine 0 N--CA 1.494 2.522 0 C-N-CA 118.47 -1.824 . . . . 0.0 111.189 174.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.712 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.879 -0.777 . . . . 0.0 109.262 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.633 ' H22' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' N ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.487 2.082 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 1.092 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.65 2.39 18.55 Favored 'General case' 0 C--O 1.181 -2.507 0 O-C-N 121.229 -1.16 . . . . 0.0 109.99 -179.465 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 1.08 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.482 0.0 OUTLIER -65.7 -56.49 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.735 1 C-N-CA 132.212 4.205 . . . . 0.0 108.802 177.926 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.013 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.519 5.4 mt -41.95 -25.65 0.07 Allowed 'General case' 0 CA--C 1.424 -3.876 1 CA-C-N 104.163 -5.926 . . . . 0.0 103.332 170.268 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.815 ' C ' ' O ' ' A' ' 3' ' ' LYS 0.294 5.5 t -127.16 -11.1 5.87 Favored 'General case' 2 N--CA 1.363 -4.806 1 CA-C-N 105.833 -5.167 . . . . 0.0 110.526 178.989 . . . . . . . . 5 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 1.092 ' N ' ' O ' ' A' ' 3' ' ' LYS . 25.8 mmmt -108.08 -53.35 2.64 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 1.368 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.327 0.0 OUTLIER -73.29 -72.04 0.18 Allowed 'Isoleucine or valine' 1 N--CA 1.335 -6.221 0 N-CA-C 101.293 -3.595 . . . . 0.0 101.293 171.362 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 1.368 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.327 54.8 m-85 -48.59 -22.39 0.75 Allowed 'General case' 0 C--N 1.258 -3.41 1 CA-C-N 106.75 -4.75 . . . . 0.0 103.267 -178.147 . . . . . . . . 4 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.643 ' HA3' ' O ' ' A' ' 6' ' ' SER . . . -41.33 101.32 0.02 OUTLIER Glycine 0 N--CA 1.485 1.926 0 CA-C-N 113.904 -1.498 . . . . 0.0 110.312 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MYR . . . . . 0.742 ' H41' HG11 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -99.46 -16.58 18.3 Favored 'General case' 0 C--O 1.197 -1.679 0 O-C-N 121.35 -1.088 . . . . 0.0 109.315 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.236 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.449 0.2 OUTLIER -72.06 -60.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 129.289 3.036 . . . . 0.0 116.682 179.627 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.977 ' H ' HG23 ' A' ' 4' ' ' VAL 0.588 20.9 mt -43.39 -15.58 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.822 1 CA-C-O 129.279 4.371 . . . . 0.0 101.778 172.471 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.956 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.305 4.8 t -117.19 -38.61 3.33 Favored 'General case' 1 N--CA 1.372 -4.331 2 CA-C-N 101.389 -7.187 . . . . 0.0 111.709 -177.206 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.236 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 8.6 mmtm -102.89 -21.79 13.95 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.111 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.978 ' N ' HD12 ' A' ' 8' ' ' ILE 0.335 1.7 mp -104.0 -61.07 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 127.662 3.601 . . . . 0.0 109.496 -175.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.907 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.49 56.8 m-85 . . . . . 0 C--N 1.256 -3.474 1 CA-C-N 104.692 -5.686 . . . . 0.0 104.544 -179.705 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -103.9 -19.33 14.28 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.122 -1.222 . . . . 0.0 109.116 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.267 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.454 0.1 OUTLIER -73.7 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 129.745 3.218 . . . . 0.0 116.885 179.845 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.006 ' H ' HG23 ' A' ' 4' ' ' VAL 0.578 23.2 mt -43.74 -14.42 0.01 OUTLIER 'General case' 0 CA--C 1.453 -2.756 1 CA-C-O 129.337 4.399 . . . . 0.0 101.287 172.286 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.977 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.313 7.6 t -116.65 -41.41 3.08 Favored 'General case' 1 N--CA 1.376 -4.127 2 CA-C-N 101.016 -7.357 . . . . 0.0 112.166 -176.803 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.267 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -101.63 -23.53 14.25 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 119.082 -1.047 . . . . 0.0 110.924 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.98 ' CD1' HG12 ' A' ' 4' ' ' VAL 0.346 1.7 mp -102.32 -53.64 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.939 0 CA-C-O 128.014 3.769 . . . . 0.0 110.009 -174.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.922 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.475 59.3 m-85 . . . . . 0 C--N 1.246 -3.9 1 CA-C-N 104.073 -5.967 . . . . 0.0 104.971 -176.738 . . . . . . . . 3 2 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.782 ' C ' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.496 2.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.04 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -111.57 -22.64 11.13 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.087 HG12 HD13 ' A' ' 8' ' ' ILE 0.427 0.0 OUTLIER -59.86 -61.68 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.436 -3.408 0 C-N-CA 131.483 3.913 . . . . 0.0 114.559 178.111 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.141 ' HA ' ' CB ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -44.74 -12.87 0.02 OUTLIER 'General case' 2 N--CA 1.362 -4.859 0 CA-C-N 108.53 -3.941 . . . . 0.0 102.935 178.086 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 1.011 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -125.24 -30.58 3.15 Favored 'General case' 0 N--CA 1.389 -3.519 1 CA-C-N 107.762 -4.29 . . . . 0.0 110.726 168.996 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.04 ' N ' ' O ' ' A' ' 3' ' ' LYS . 10.2 mmtp -79.11 -41.72 27.97 Favored 'General case' 0 N--CA 1.416 -2.154 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.087 HD13 HG12 ' A' ' 4' ' ' VAL 0.337 1.6 mp -113.55 -63.69 1.9 Allowed 'Isoleucine or valine' 1 N--CA 1.357 -5.086 0 CA-C-O 124.203 1.954 . . . . 0.0 111.545 -178.772 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 1.141 ' CB ' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.433 -1.293 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.908 -171.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.607 ' C ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.808 ' O ' ' HB3' ' A' ' 6' ' ' SER . 0.0 OUTLIER -109.72 9.08 24.95 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.577 -1.543 . . . . 0.0 110.777 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.165 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.435 0.1 OUTLIER -79.0 -51.08 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.989 0 CA-C-O 128.388 3.947 . . . . 0.0 107.78 179.024 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.036 ' H ' HG23 ' A' ' 4' ' ' VAL 0.624 12.6 mt -41.04 -20.59 0.01 OUTLIER 'General case' 0 N--CA 1.379 -3.976 2 CA-C-N 104.247 -5.888 . . . . 0.0 102.688 169.109 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.915 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.308 0.1 OUTLIER -121.9 -20.02 6.5 Favored 'General case' 1 N--CA 1.372 -4.347 1 CA-C-N 102.493 -6.685 . . . . 0.0 112.156 -178.345 . . . . . . . . 6 4 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.165 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -102.01 -30.99 10.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.834 -1.166 . . . . 0.0 108.508 174.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.093 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.352 1.5 mp -101.26 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.057 0 CA-C-O 127.603 3.573 . . . . 0.0 110.079 -173.335 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 1.093 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.519 86.1 m-85 . . . . . 0 C--N 1.258 -3.395 1 CA-C-N 104.801 -5.636 . . . . 0.0 104.597 179.918 . . . . . . . . 3 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.649 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.429 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.954 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.5 ptpt -108.06 -19.6 13.45 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 121.26 -1.141 . . . . 0.0 108.771 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.237 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.453 0.3 OUTLIER -72.92 -60.78 2.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 129.445 3.098 . . . . 0.0 116.645 178.887 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.971 ' N ' HG23 ' A' ' 4' ' ' VAL 0.577 22.7 mt -43.78 -14.49 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.821 1 CA-C-O 129.003 4.239 . . . . 0.0 101.932 172.02 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.968 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.324 7.0 t -117.73 -38.8 3.21 Favored 'General case' 1 N--CA 1.372 -4.356 2 CA-C-N 101.727 -7.033 . . . . 0.0 111.54 -177.022 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.237 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 29.0 mmtm -103.46 -21.76 13.74 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 118.721 -1.191 . . . . 0.0 111.155 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.984 ' N ' HD12 ' A' ' 8' ' ' ILE 0.33 1.7 mp -103.71 -60.7 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 CA-C-O 127.564 3.554 . . . . 0.0 109.384 -175.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.895 ' HB2' ' CA ' ' A' ' 5' ' ' LEU 0.485 57.0 m-85 . . . . . 0 C--N 1.257 -3.442 1 CA-C-N 104.853 -5.612 . . . . 0.0 104.942 -179.025 . . . . . . . . 3 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.5 2.962 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.001 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 15.9 mtpt -110.43 3.51 19.73 Favored 'General case' 0 C--O 1.163 -3.462 0 O-C-N 120.822 -1.399 . . . . 0.0 110.982 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.119 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -110.37 -58.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-O 128.151 3.834 . . . . 0.0 110.38 -174.181 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.985 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.574 14.9 mt -42.27 -20.91 0.02 OUTLIER 'General case' 1 N--CA 1.348 -5.553 2 CA-C-N 103.957 -6.02 . . . . 0.0 100.788 171.369 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.947 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.267 0.4 OUTLIER -116.44 -43.22 2.94 Favored 'General case' 1 N--CA 1.376 -4.169 1 CA-C-N 102.072 -6.876 . . . . 0.0 110.38 -178.334 . . . . . . . . 6 4 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.119 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 4.2 mmtm -90.54 -23.59 20.86 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.544 -2.062 . . . . 0.0 111.358 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.195 ' HB ' ' CD1' ' A' ' 9' ' ' PHE 0.353 1.6 mp -111.44 -62.02 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 CA-C-O 127.113 3.339 . . . . 0.0 110.682 -173.072 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 1.195 ' CD1' ' HB ' ' A' ' 8' ' ' ILE 0.46 57.1 m-85 . . . . . 0 C--N 1.269 -2.907 1 CA-C-N 105.609 -5.269 . . . . 0.0 106.648 -178.939 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.658 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.042 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.3 mmtm -102.68 -21.54 14.1 Favored 'General case' 0 C--O 1.192 -1.945 0 O-C-N 120.901 -1.352 . . . . 0.0 109.464 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.101 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -69.44 -61.74 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.279 -2.485 0 C-N-CA 128.897 2.879 . . . . 0.0 116.153 179.417 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.077 ' H ' HG23 ' A' ' 4' ' ' VAL 0.59 14.3 mt -41.55 -18.87 0.01 OUTLIER 'General case' 0 N--CA 1.38 -3.968 0 CA-C-O 128.376 3.941 . . . . 0.0 103.598 173.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.894 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.283 23.1 t -120.61 -26.21 5.37 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 102.969 -6.469 . . . . 0.0 111.643 -178.489 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.101 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -105.44 -25.29 12.41 Favored 'General case' 0 C--N 1.282 -2.328 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.931 178.602 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.145 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.337 1.7 mp -105.33 -61.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.148 0 CA-C-O 127.129 3.347 . . . . 0.0 108.332 -178.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 1.145 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.488 80.7 m-85 . . . . . 0 C--N 1.265 -3.068 1 CA-C-N 105.617 -5.265 . . . . 0.0 103.919 177.549 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.558 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.992 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.9 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -110.35 2.67 19.22 Favored 'General case' 0 C--O 1.184 -2.383 0 CA-C-N 120.212 2.006 . . . . 0.0 112.276 -176.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.169 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.431 0.1 OUTLIER -104.71 -56.08 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.069 0 CA-C-O 127.602 3.572 . . . . 0.0 108.076 -174.91 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.962 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.578 8.7 mt -41.87 -20.18 0.01 OUTLIER 'General case' 1 N--CA 1.378 -4.058 2 CA-C-N 104.517 -5.765 . . . . 0.0 102.401 170.855 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.973 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.274 0.1 OUTLIER -116.05 -41.95 3.12 Favored 'General case' 1 N--CA 1.368 -4.57 2 CA-C-N 101.1 -7.318 . . . . 0.0 111.63 -178.249 . . . . . . . . 6 4 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.169 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 5.5 mmtp -90.72 -25.71 19.89 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.687 -1.605 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.097 ' CD1' HG12 ' A' ' 4' ' ' VAL 0.349 1.6 mp -103.07 -58.71 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 CA-C-O 127.93 3.729 . . . . 0.0 110.179 -174.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 1.068 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.509 80.2 m-85 . . . . . 0 C--N 1.249 -3.793 1 CA-C-N 104.311 -5.859 . . . . 0.0 106.115 179.931 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.447 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.089 ' O ' ' N ' ' A' ' 7' ' ' LYS . 47.6 mmtt -97.58 -17.06 19.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.169 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.444 0.0 OUTLIER -71.38 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 CA-C-O 126.139 2.876 . . . . 0.0 115.777 -179.602 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.085 ' H ' HG23 ' A' ' 4' ' ' VAL 0.603 13.0 mt -41.06 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.624 1 CA-C-O 128.736 4.113 . . . . 0.0 103.258 174.17 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.91 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.293 1.7 t -119.23 -34.89 3.73 Favored 'General case' 1 N--CA 1.367 -4.621 1 CA-C-N 102.412 -6.722 . . . . 0.0 110.833 -179.121 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.169 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 16.4 mmtp -93.67 -28.18 16.13 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.959 -1.496 . . . . 0.0 110.02 177.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.06 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.329 1.7 mp -103.09 -61.34 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.4 0 CA-C-O 127.301 3.429 . . . . 0.0 109.677 -174.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 1.06 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.48 80.3 m-85 . . . . . 0 C--N 1.259 -3.367 1 CA-C-N 105.628 -5.26 . . . . 0.0 104.315 178.625 . . . . . . . . 3 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.538 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.94 ' O ' ' N ' ' A' ' 7' ' ' LYS . 2.8 mtpp -91.97 -16.73 26.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.965 -1.315 . . . . 0.0 110.301 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.241 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.45 0.3 OUTLIER -73.53 -60.55 2.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 129.344 3.058 . . . . 0.0 116.694 179.716 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.991 ' N ' HG23 ' A' ' 4' ' ' VAL 0.573 24.6 mt -43.99 -13.49 0.01 OUTLIER 'General case' 0 CA--C 1.456 -2.645 1 CA-C-O 129.305 4.383 . . . . 0.0 101.719 172.367 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.951 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.355 10.3 t -116.92 -43.62 2.86 Favored 'General case' 1 N--CA 1.366 -4.655 2 CA-C-N 101.288 -7.233 . . . . 0.0 111.656 -176.647 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.241 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 23.7 mmmt -98.2 -25.72 14.79 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.215 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.974 ' N ' HD12 ' A' ' 8' ' ' ILE 0.321 1.7 mp -100.45 -60.96 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.789 0 CA-C-O 127.752 3.644 . . . . 0.0 109.501 -173.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.897 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.484 55.7 m-85 . . . . . 0 C--N 1.251 -3.691 1 CA-C-N 104.585 -5.734 . . . . 0.0 103.352 179.587 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.42 ' C ' ' HZ2' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.196 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 mmtm -106.43 -17.43 14.27 Favored 'General case' 0 C--O 1.184 -2.371 0 O-C-N 121.628 -0.925 . . . . 0.0 109.049 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.087 HG23 ' H ' ' A' ' 5' ' ' LEU 0.491 0.0 OUTLIER -58.21 -61.27 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.776 0 C-N-CA 131.222 3.809 . . . . 0.0 113.473 176.728 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.087 ' H ' HG23 ' A' ' 4' ' ' VAL 0.53 8.2 mt -40.5 -24.3 0.02 OUTLIER 'General case' 1 CA--C 1.42 -4.036 1 CA-C-N 107.671 -4.331 . . . . 0.0 104.113 172.8 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.835 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.32 19.6 t -124.81 -21.79 4.68 Favored 'General case' 2 N--CA 1.356 -5.142 1 CA-C-N 104.949 -5.569 . . . . 0.0 110.123 178.556 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 3' ' ' LYS 0.271 31.3 mmtt -101.77 -50.53 3.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.296 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.37 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.312 0.0 OUTLIER -73.4 -71.7 0.2 Allowed 'Isoleucine or valine' 1 N--CA 1.337 -6.092 0 N-CA-C 100.646 -3.835 . . . . 0.0 100.646 170.781 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 1.37 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.302 62.4 m-85 . . . . . 0 C--N 1.26 -3.314 1 CA-C-N 107.11 -4.587 . . . . 0.0 103.359 -177.89 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLY . . . . . 0.427 ' N ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.487 2.082 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 1.092 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.65 2.39 18.55 Favored 'General case' 0 C--O 1.181 -2.507 0 O-C-N 121.229 -1.16 . . . . 0.0 109.99 -179.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 1.08 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.482 0.0 OUTLIER -65.7 -56.49 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.735 1 C-N-CA 132.212 4.205 . . . . 0.0 108.802 177.926 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.013 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.519 5.4 mt -41.95 -25.65 0.07 Allowed 'General case' 0 CA--C 1.424 -3.876 1 CA-C-N 104.163 -5.926 . . . . 0.0 103.332 170.268 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' SER . . . . . 0.815 ' C ' ' O ' ' A' ' 3' ' ' LYS 0.294 5.5 t -127.16 -11.1 5.87 Favored 'General case' 2 N--CA 1.363 -4.806 1 CA-C-N 105.833 -5.167 . . . . 0.0 110.526 178.989 . . . . . . . . 5 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 1.092 ' N ' ' O ' ' A' ' 3' ' ' LYS . 25.8 mmmt -108.08 -53.35 2.64 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 1.368 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.327 0.0 OUTLIER -73.29 -72.04 0.18 Allowed 'Isoleucine or valine' 1 N--CA 1.335 -6.221 0 N-CA-C 101.293 -3.595 . . . . 0.0 101.293 171.362 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 1.368 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.327 54.8 m-85 . . . . . 0 C--N 1.258 -3.41 1 CA-C-N 106.75 -4.75 . . . . 0.0 103.267 -178.147 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.361 0 N-CA-C 109.369 -1.492 . . . . 0.0 109.369 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -99.46 -16.58 18.3 Favored 'General case' 0 C--O 1.197 -1.679 0 O-C-N 121.35 -1.088 . . . . 0.0 109.315 -179.827 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.236 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.449 0.2 OUTLIER -72.06 -60.33 2.53 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.737 0 C-N-CA 129.289 3.036 . . . . 0.0 116.682 179.627 . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.977 ' H ' HG23 ' A' ' 4' ' ' VAL 0.588 20.9 mt -43.39 -15.58 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.822 1 CA-C-O 129.279 4.371 . . . . 0.0 101.778 172.471 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.956 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.305 4.8 t -117.19 -38.61 3.33 Favored 'General case' 1 N--CA 1.372 -4.331 2 CA-C-N 101.389 -7.187 . . . . 0.0 111.709 -177.206 . . . . . . . . 5 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.236 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 8.6 mmtm -102.89 -21.79 13.95 Favored 'General case' 0 C--N 1.287 -2.133 0 C-N-CA 118.613 -1.235 . . . . 0.0 111.111 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.978 ' N ' HD12 ' A' ' 8' ' ' ILE 0.335 1.7 mp -104.0 -61.07 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.429 -1.509 0 CA-C-O 127.662 3.601 . . . . 0.0 109.496 -175.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.907 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.49 56.8 m-85 -74.9 -37.83 62.0 Favored 'General case' 0 C--N 1.256 -3.474 1 CA-C-N 104.692 -5.686 . . . . 0.0 104.544 -179.705 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.575 ' O ' ' O ' ' A' ' 9' ' ' PHE . . . 55.77 151.86 0.01 OUTLIER Glycine 0 N--CA 1.49 2.297 0 C-N-CA 118.333 -1.889 . . . . 0.0 109.41 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.206 -1.173 . . . . 0.0 109.007 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.693 ' H22' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.413 0 N-CA-C 109.897 -1.281 . . . . 0.0 109.897 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.969 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -103.9 -19.33 14.28 Favored 'General case' 0 C--O 1.195 -1.781 0 O-C-N 121.122 -1.222 . . . . 0.0 109.116 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.267 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.454 0.1 OUTLIER -73.7 -61.42 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 C-N-CA 129.745 3.218 . . . . 0.0 116.885 179.845 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.006 ' H ' HG23 ' A' ' 4' ' ' VAL 0.578 23.2 mt -43.74 -14.42 0.01 OUTLIER 'General case' 0 CA--C 1.453 -2.756 1 CA-C-O 129.337 4.399 . . . . 0.0 101.287 172.286 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.977 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.313 7.6 t -116.65 -41.41 3.08 Favored 'General case' 1 N--CA 1.376 -4.127 2 CA-C-N 101.016 -7.357 . . . . 0.0 112.166 -176.803 . . . . . . . . 5 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.267 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -101.63 -23.53 14.25 Favored 'General case' 0 C--N 1.292 -1.91 0 C-N-CA 119.082 -1.047 . . . . 0.0 110.924 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.98 ' CD1' HG12 ' A' ' 4' ' ' VAL 0.346 1.7 mp -102.32 -53.64 7.31 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.939 0 CA-C-O 128.014 3.769 . . . . 0.0 110.009 -174.687 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.922 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.475 59.3 m-85 -84.51 -34.97 23.22 Favored 'General case' 0 C--N 1.246 -3.9 1 CA-C-N 104.073 -5.967 . . . . 0.0 104.971 -176.738 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.621 ' C ' ' O ' ' A' ' 6' ' ' SER . . . -122.84 175.19 16.5 Favored Glycine 0 N--CA 1.502 3.051 0 C-N-CA 117.476 -2.297 . . . . 0.0 112.807 -178.407 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 . . . . . 0 N--CA 1.496 1.838 0 O-C-N 122.105 -0.644 . . . . 0.0 110.726 179.295 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.693 ' H22' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.782 ' C ' HD11 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.496 2.683 0 N-CA-C 111.233 -0.747 . . . . 0.0 111.233 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.04 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.7 OUTLIER -111.57 -22.64 11.13 Favored 'General case' 0 C--N 1.292 -1.908 0 N-CA-C 106.428 -1.693 . . . . 0.0 106.428 176.88 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.087 HG12 HD13 ' A' ' 8' ' ' ILE 0.427 0.0 OUTLIER -59.86 -61.68 1.38 Allowed 'Isoleucine or valine' 0 CA--C 1.436 -3.408 0 C-N-CA 131.483 3.913 . . . . 0.0 114.559 178.111 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.141 ' HA ' ' CB ' ' A' ' 9' ' ' PHE . 0.1 OUTLIER -44.74 -12.87 0.02 OUTLIER 'General case' 2 N--CA 1.362 -4.859 0 CA-C-N 108.53 -3.941 . . . . 0.0 102.935 178.086 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 1.011 ' N ' HD12 ' A' ' 5' ' ' LEU . 0.4 OUTLIER -125.24 -30.58 3.15 Favored 'General case' 0 N--CA 1.389 -3.519 1 CA-C-N 107.762 -4.29 . . . . 0.0 110.726 168.996 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.04 ' N ' ' O ' ' A' ' 3' ' ' LYS . 10.2 mmtp -79.11 -41.72 27.97 Favored 'General case' 0 N--CA 1.416 -2.154 0 N-CA-C 103.57 -2.752 . . . . 0.0 103.57 179.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.087 HD13 HG12 ' A' ' 4' ' ' VAL 0.337 1.6 mp -113.55 -63.69 1.9 Allowed 'Isoleucine or valine' 1 N--CA 1.357 -5.086 0 CA-C-O 124.203 1.954 . . . . 0.0 111.545 -178.772 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 1.141 ' CB ' ' HA ' ' A' ' 5' ' ' LEU . 0.0 OUTLIER -66.42 -4.87 9.1 Favored 'General case' 0 N--CA 1.433 -1.293 0 CA-C-N 110.945 -2.843 . . . . 0.0 107.908 -171.78 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.719 ' HA3' ' O ' ' A' ' 5' ' ' LEU . . . -158.78 -173.75 27.59 Favored Glycine 0 N--CA 1.511 3.639 0 C-N-CA 119.451 -1.356 . . . . 0.0 110.488 175.089 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.587 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.9 OUTLIER . . . . . 0 N--CA 1.494 1.762 0 O-C-N 121.919 -0.753 . . . . 0.0 110.965 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.782 ' O1 ' ' N ' ' A' ' 3' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.607 ' C ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.383 0 N-CA-C 112.27 -0.332 . . . . 0.0 112.27 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.808 ' O ' ' HB3' ' A' ' 6' ' ' SER . 0.0 OUTLIER -109.72 9.08 24.95 Favored 'General case' 0 CA--C 1.569 1.698 0 O-C-N 120.577 -1.543 . . . . 0.0 110.777 -176.146 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.165 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.435 0.1 OUTLIER -79.0 -51.08 17.46 Favored 'Isoleucine or valine' 0 CA--C 1.473 -1.989 0 CA-C-O 128.388 3.947 . . . . 0.0 107.78 179.024 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.036 ' H ' HG23 ' A' ' 4' ' ' VAL 0.624 12.6 mt -41.04 -20.59 0.01 OUTLIER 'General case' 0 N--CA 1.379 -3.976 2 CA-C-N 104.247 -5.888 . . . . 0.0 102.688 169.109 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.915 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.308 0.1 OUTLIER -121.9 -20.02 6.5 Favored 'General case' 1 N--CA 1.372 -4.347 1 CA-C-N 102.493 -6.685 . . . . 0.0 112.156 -178.345 . . . . . . . . 6 4 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.165 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 10.7 mmmm -102.01 -30.99 10.88 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.834 -1.166 . . . . 0.0 108.508 174.158 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.093 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.352 1.5 mp -101.26 -59.91 3.1 Favored 'Isoleucine or valine' 0 CA--C 1.498 -1.057 0 CA-C-O 127.603 3.573 . . . . 0.0 110.079 -173.335 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 1.093 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.519 86.1 m-85 -74.59 -38.45 62.62 Favored 'General case' 0 C--N 1.258 -3.395 1 CA-C-N 104.801 -5.636 . . . . 0.0 104.597 179.918 . . . . . . . . 4 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.489 ' HA3' ' O ' ' A' ' 6' ' ' SER . . . -42.28 138.26 2.73 Favored Glycine 0 N--CA 1.489 2.21 0 C-N-CA 118.76 -1.686 . . . . 0.0 109.99 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 . . . . . 0 C--N 1.302 -1.457 0 O-C-N 121.751 -0.853 . . . . 0.0 109.489 179.603 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.587 ' H31' HD11 ' A' ' 5' ' ' LEU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.649 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.429 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.954 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.5 ptpt -108.06 -19.6 13.45 Favored 'General case' 0 C--O 1.196 -1.744 0 O-C-N 121.26 -1.141 . . . . 0.0 108.771 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.237 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.453 0.3 OUTLIER -72.92 -60.78 2.08 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 C-N-CA 129.445 3.098 . . . . 0.0 116.645 178.887 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.971 ' N ' HG23 ' A' ' 4' ' ' VAL 0.577 22.7 mt -43.78 -14.49 0.01 OUTLIER 'General case' 0 CA--C 1.452 -2.821 1 CA-C-O 129.003 4.239 . . . . 0.0 101.932 172.02 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.968 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.324 7.0 t -117.73 -38.8 3.21 Favored 'General case' 1 N--CA 1.372 -4.356 2 CA-C-N 101.727 -7.033 . . . . 0.0 111.54 -177.022 . . . . . . . . 5 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.237 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 29.0 mmtm -103.46 -21.76 13.74 Favored 'General case' 0 C--N 1.29 -2.005 0 C-N-CA 118.721 -1.191 . . . . 0.0 111.155 178.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.984 ' N ' HD12 ' A' ' 8' ' ' ILE 0.33 1.7 mp -103.71 -60.7 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.425 -1.71 0 CA-C-O 127.564 3.554 . . . . 0.0 109.384 -175.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.895 ' HB2' ' CA ' ' A' ' 5' ' ' LEU 0.485 57.0 m-85 -77.72 -38.81 46.36 Favored 'General case' 0 C--N 1.257 -3.442 1 CA-C-N 104.853 -5.612 . . . . 0.0 104.942 -179.025 . . . . . . . . 4 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.589 ' O ' ' O ' ' A' ' 5' ' ' LEU . . . 67.08 -74.09 0.18 Allowed Glycine 0 N--CA 1.49 2.295 0 C-N-CA 117.905 -2.093 . . . . 0.0 109.325 -179.477 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.506 ' C ' ' O ' ' A' ' 10' ' ' GLY . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.618 0 O-C-N 121.316 -1.108 . . . . 0.0 108.812 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.678 ' C4 ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.523 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.5 2.962 0 N-CA-C 111.41 -0.676 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.001 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 15.9 mtpt -110.43 3.51 19.73 Favored 'General case' 0 C--O 1.163 -3.462 0 O-C-N 120.822 -1.399 . . . . 0.0 110.982 -178.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.119 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -110.37 -58.56 3.61 Favored 'Isoleucine or valine' 0 C--N 1.271 -2.83 0 CA-C-O 128.151 3.834 . . . . 0.0 110.38 -174.181 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.985 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.574 14.9 mt -42.27 -20.91 0.02 OUTLIER 'General case' 1 N--CA 1.348 -5.553 2 CA-C-N 103.957 -6.02 . . . . 0.0 100.788 171.369 . . . . . . . . 5 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.947 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.267 0.4 OUTLIER -116.44 -43.22 2.94 Favored 'General case' 1 N--CA 1.376 -4.169 1 CA-C-N 102.072 -6.876 . . . . 0.0 110.38 -178.334 . . . . . . . . 6 4 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.119 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 4.2 mmtm -90.54 -23.59 20.86 Favored 'General case' 0 C--N 1.301 -1.517 0 C-N-CA 116.544 -2.062 . . . . 0.0 111.358 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.195 ' HB ' ' CD1' ' A' ' 9' ' ' PHE 0.353 1.6 mp -111.44 -62.02 2.33 Favored 'Isoleucine or valine' 0 N--CA 1.42 -1.93 0 CA-C-O 127.113 3.339 . . . . 0.0 110.682 -173.072 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 1.195 ' CD1' ' HB ' ' A' ' 8' ' ' ILE 0.46 57.1 m-85 -68.58 -42.93 77.55 Favored 'General case' 0 C--N 1.269 -2.907 1 CA-C-N 105.609 -5.269 . . . . 0.0 106.648 -178.939 . . . . . . . . 4 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 11' ' ' ASN . . . -90.88 44.58 2.86 Favored Glycine 0 N--CA 1.495 2.575 0 C-N-CA 118.65 -1.738 . . . . 0.0 111.372 -178.015 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.411 ' C ' ' O ' ' A' ' 10' ' ' GLY . 15.0 m120 . . . . . 0 C--N 1.299 -1.6 0 O-C-N 120.819 -1.401 . . . . 0.0 109.623 178.225 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.958 ' H42' HG22 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.658 0 N-CA-C 110.506 -1.037 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.042 ' O ' ' N ' ' A' ' 7' ' ' LYS . 7.3 mmtm -102.68 -21.54 14.1 Favored 'General case' 0 C--O 1.192 -1.945 0 O-C-N 120.901 -1.352 . . . . 0.0 109.464 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.101 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.464 0.0 OUTLIER -69.44 -61.74 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.279 -2.485 0 C-N-CA 128.897 2.879 . . . . 0.0 116.153 179.417 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.077 ' H ' HG23 ' A' ' 4' ' ' VAL 0.59 14.3 mt -41.55 -18.87 0.01 OUTLIER 'General case' 0 N--CA 1.38 -3.968 0 CA-C-O 128.376 3.941 . . . . 0.0 103.598 173.591 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.894 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.283 23.1 t -120.61 -26.21 5.37 Favored 'General case' 1 N--CA 1.377 -4.085 1 CA-C-N 102.969 -6.469 . . . . 0.0 111.643 -178.489 . . . . . . . . 5 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.101 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -105.44 -25.29 12.41 Favored 'General case' 0 C--N 1.282 -2.328 0 C-N-CA 119.324 -0.95 . . . . 0.0 109.931 178.602 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.145 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.337 1.7 mp -105.33 -61.11 2.6 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.148 0 CA-C-O 127.129 3.347 . . . . 0.0 108.332 -178.041 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 1.145 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.488 80.7 m-85 -66.72 -37.68 85.17 Favored 'General case' 0 C--N 1.265 -3.068 1 CA-C-N 105.617 -5.265 . . . . 0.0 103.919 177.549 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.492 ' HA2' ' O ' ' A' ' 6' ' ' SER . . . 77.95 140.17 1.46 Allowed Glycine 0 N--CA 1.494 2.554 0 C-N-CA 118.59 -1.766 . . . . 0.0 110.198 179.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.6 ' N ' ' HA ' ' A' ' 6' ' ' SER . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.445 -1.032 . . . . 0.0 109.468 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.548 ' H22' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.558 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.501 2.992 0 N-CA-C 114.863 0.705 . . . . 0.0 114.863 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.9 ' O ' ' HG2' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -110.35 2.67 19.22 Favored 'General case' 0 C--O 1.184 -2.383 0 CA-C-N 120.212 2.006 . . . . 0.0 112.276 -176.743 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.169 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.431 0.1 OUTLIER -104.71 -56.08 5.29 Favored 'Isoleucine or valine' 0 CA--C 1.445 -3.069 0 CA-C-O 127.602 3.572 . . . . 0.0 108.076 -174.91 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.962 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.578 8.7 mt -41.87 -20.18 0.01 OUTLIER 'General case' 1 N--CA 1.378 -4.058 2 CA-C-N 104.517 -5.765 . . . . 0.0 102.401 170.855 . . . . . . . . 5 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.973 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.274 0.1 OUTLIER -116.05 -41.95 3.12 Favored 'General case' 1 N--CA 1.368 -4.57 2 CA-C-N 101.1 -7.318 . . . . 0.0 111.63 -178.249 . . . . . . . . 6 4 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.169 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 5.5 mmtp -90.72 -25.71 19.89 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 117.687 -1.605 . . . . 0.0 109.585 177.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.097 ' CD1' HG12 ' A' ' 4' ' ' VAL 0.349 1.6 mp -103.07 -58.71 3.76 Favored 'Isoleucine or valine' 0 CA--C 1.495 -1.172 0 CA-C-O 127.93 3.729 . . . . 0.0 110.179 -174.702 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 1.068 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.509 80.2 m-85 -72.75 -41.23 65.34 Favored 'General case' 0 C--N 1.249 -3.793 1 CA-C-N 104.311 -5.859 . . . . 0.0 106.115 179.931 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.571 ' HA3' ' HA ' ' A' ' 6' ' ' SER . . . -107.38 25.39 21.77 Favored Glycine 0 N--CA 1.503 3.154 0 C-N-CA 117.638 -2.22 . . . . 0.0 111.481 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.415 ' O ' ' HA ' ' A' ' 7' ' ' LYS . 76.7 m-20 . . . . . 0 C--N 1.3 -1.582 0 O-C-N 120.601 -1.529 . . . . 0.0 109.591 178.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.847 ' H42' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.447 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.492 2.402 0 N-CA-C 109.891 -1.283 . . . . 0.0 109.891 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.089 ' O ' ' N ' ' A' ' 7' ' ' LYS . 47.6 mmtt -97.58 -17.06 19.76 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.203 -1.175 . . . . 0.0 109.387 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.169 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.444 0.0 OUTLIER -71.38 -61.27 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.286 -2.178 0 CA-C-O 126.139 2.876 . . . . 0.0 115.777 -179.602 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.085 ' H ' HG23 ' A' ' 4' ' ' VAL 0.603 13.0 mt -41.06 -18.68 0.01 OUTLIER 'General case' 0 N--CA 1.387 -3.624 1 CA-C-O 128.736 4.113 . . . . 0.0 103.258 174.17 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.91 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.293 1.7 t -119.23 -34.89 3.73 Favored 'General case' 1 N--CA 1.367 -4.621 1 CA-C-N 102.412 -6.722 . . . . 0.0 110.833 -179.121 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.169 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 16.4 mmtp -93.67 -28.18 16.13 Favored 'General case' 0 C--N 1.303 -1.443 0 C-N-CA 117.959 -1.496 . . . . 0.0 110.02 177.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.06 ' HB ' ' CD2' ' A' ' 9' ' ' PHE 0.329 1.7 mp -103.09 -61.34 2.48 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.4 0 CA-C-O 127.301 3.429 . . . . 0.0 109.677 -174.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 1.06 ' CD2' ' HB ' ' A' ' 8' ' ' ILE 0.48 80.3 m-85 -68.44 -33.12 73.64 Favored 'General case' 0 C--N 1.259 -3.367 1 CA-C-N 105.628 -5.26 . . . . 0.0 104.315 178.625 . . . . . . . . 4 3 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.577 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -115.08 51.51 0.71 Allowed Glycine 0 N--CA 1.492 2.376 0 C-N-CA 117.354 -2.355 . . . . 0.0 110.412 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.577 ' O ' ' O ' ' A' ' 10' ' ' GLY . 36.5 m120 . . . . . 0 C--N 1.301 -1.53 0 O-C-N 121.199 -1.177 . . . . 0.0 108.443 179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.561 H142 H101 ' A' ' 1' ' ' MYR . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.538 ' N ' HD12 ' A' ' 5' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.365 0 N-CA-C 110.656 -0.978 . . . . 0.0 110.656 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.94 ' O ' ' N ' ' A' ' 7' ' ' LYS . 2.8 mtpp -91.97 -16.73 26.14 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.965 -1.315 . . . . 0.0 110.301 -179.098 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.241 ' CA ' ' H ' ' A' ' 7' ' ' LYS 0.45 0.3 OUTLIER -73.53 -60.55 2.3 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 C-N-CA 129.344 3.058 . . . . 0.0 116.694 179.716 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.991 ' N ' HG23 ' A' ' 4' ' ' VAL 0.573 24.6 mt -43.99 -13.49 0.01 OUTLIER 'General case' 0 CA--C 1.456 -2.645 1 CA-C-O 129.305 4.383 . . . . 0.0 101.719 172.367 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.951 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.355 10.3 t -116.92 -43.62 2.86 Favored 'General case' 1 N--CA 1.366 -4.655 2 CA-C-N 101.288 -7.233 . . . . 0.0 111.656 -176.647 . . . . . . . . 5 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.241 ' H ' ' CA ' ' A' ' 4' ' ' VAL . 23.7 mmmt -98.2 -25.72 14.79 Favored 'General case' 0 C--N 1.296 -1.751 0 C-N-CA 119.162 -1.015 . . . . 0.0 111.215 178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.974 ' N ' HD12 ' A' ' 8' ' ' ILE 0.321 1.7 mp -100.45 -60.96 2.53 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.789 0 CA-C-O 127.752 3.644 . . . . 0.0 109.501 -173.759 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.897 ' HD2' ' N ' ' A' ' 5' ' ' LEU 0.484 55.7 m-85 -74.95 -32.71 61.79 Favored 'General case' 0 C--N 1.251 -3.691 1 CA-C-N 104.585 -5.734 . . . . 0.0 103.352 179.587 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.6 ' O ' ' O ' ' A' ' 11' ' ' ASN . . . -104.45 141.27 15.24 Favored Glycine 0 N--CA 1.494 2.54 0 C-N-CA 118.514 -1.803 . . . . 0.0 111.513 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.6 ' O ' ' O ' ' A' ' 10' ' ' GLY . 0.4 OUTLIER . . . . . 0 N--CA 1.495 1.817 0 O-C-N 121.922 -0.752 . . . . 0.0 110.769 179.042 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.624 ' H41' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' C ' ' HZ2' ' A' ' 3' ' ' LYS . . . . . . . . 0 N--CA 1.489 2.205 0 N-CA-C 108.395 -1.882 . . . . 0.0 108.395 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.196 ' O ' ' N ' ' A' ' 7' ' ' LYS . 1.1 mmtm -106.43 -17.43 14.27 Favored 'General case' 0 C--O 1.184 -2.371 0 O-C-N 121.628 -0.925 . . . . 0.0 109.049 -179.342 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.087 HG23 ' H ' ' A' ' 5' ' ' LEU 0.491 0.0 OUTLIER -58.21 -61.27 1.42 Allowed 'Isoleucine or valine' 0 CA--C 1.479 -1.776 0 C-N-CA 131.222 3.809 . . . . 0.0 113.473 176.728 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.087 ' H ' HG23 ' A' ' 4' ' ' VAL 0.53 8.2 mt -40.5 -24.3 0.02 OUTLIER 'General case' 1 CA--C 1.42 -4.036 1 CA-C-N 107.671 -4.331 . . . . 0.0 104.113 172.8 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.835 ' N ' ' C ' ' A' ' 4' ' ' VAL 0.32 19.6 t -124.81 -21.79 4.68 Favored 'General case' 2 N--CA 1.356 -5.142 1 CA-C-N 104.949 -5.569 . . . . 0.0 110.123 178.556 . . . . . . . . 5 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.196 ' N ' ' O ' ' A' ' 3' ' ' LYS 0.271 31.3 mmtt -101.77 -50.53 3.67 Favored 'General case' 0 C--N 1.312 -1.064 0 CA-C-O 118.674 -0.679 . . . . 0.0 109.296 179.332 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.37 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.312 0.0 OUTLIER -73.4 -71.7 0.2 Allowed 'Isoleucine or valine' 1 N--CA 1.337 -6.092 0 N-CA-C 100.646 -3.835 . . . . 0.0 100.646 170.781 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 1.37 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.302 62.4 m-85 -44.49 -22.0 0.06 Allowed 'General case' 0 C--N 1.26 -3.314 1 CA-C-N 107.11 -4.587 . . . . 0.0 103.359 -177.89 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.633 ' N ' ' C ' ' A' ' 8' ' ' ILE . . . 72.55 143.19 0.48 Allowed Glycine 0 N--CA 1.494 2.522 0 C-N-CA 118.47 -1.824 . . . . 0.0 111.189 174.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.712 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 0.2 OUTLIER . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.879 -0.777 . . . . 0.0 109.262 179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.633 ' H22' HG21 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.427 ' N ' HG21 ' A' ' 4' ' ' VAL . . . . . . . . 0 N--CA 1.487 2.082 0 N-CA-C 109.467 -1.453 . . . . 0.0 109.467 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 1.092 ' O ' ' N ' ' A' ' 7' ' ' LYS . 0.0 OUTLIER -110.65 2.39 18.55 Favored 'General case' 0 C--O 1.181 -2.507 0 O-C-N 121.229 -1.16 . . . . 0.0 109.99 -179.465 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 1.08 ' C ' ' H ' ' A' ' 7' ' ' LYS 0.482 0.0 OUTLIER -65.7 -56.49 14.8 Favored 'Isoleucine or valine' 0 CA--C 1.454 -2.735 1 C-N-CA 132.212 4.205 . . . . 0.0 108.802 177.926 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.013 ' CA ' ' HB2' ' A' ' 9' ' ' PHE 0.519 5.4 mt -41.95 -25.65 0.07 Allowed 'General case' 0 CA--C 1.424 -3.876 1 CA-C-N 104.163 -5.926 . . . . 0.0 103.332 170.268 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.815 ' C ' ' O ' ' A' ' 3' ' ' LYS 0.294 5.5 t -127.16 -11.1 5.87 Favored 'General case' 2 N--CA 1.363 -4.806 1 CA-C-N 105.833 -5.167 . . . . 0.0 110.526 178.989 . . . . . . . . 5 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 1.092 ' N ' ' O ' ' A' ' 3' ' ' LYS . 25.8 mmmt -108.08 -53.35 2.64 Favored 'General case' 0 CA--C 1.494 -1.183 0 N-CA-C 107.637 -1.246 . . . . 0.0 107.637 178.535 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 1.368 ' CD1' ' N ' ' A' ' 9' ' ' PHE 0.327 0.0 OUTLIER -73.29 -72.04 0.18 Allowed 'Isoleucine or valine' 1 N--CA 1.335 -6.221 0 N-CA-C 101.293 -3.595 . . . . 0.0 101.293 171.362 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 1.368 ' N ' ' CD1' ' A' ' 8' ' ' ILE 0.327 54.8 m-85 -48.59 -22.39 0.75 Allowed 'General case' 0 C--N 1.258 -3.41 1 CA-C-N 106.75 -4.75 . . . . 0.0 103.267 -178.147 . . . . . . . . 4 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.643 ' HA3' ' O ' ' A' ' 6' ' ' SER . . . -41.33 101.32 0.02 OUTLIER Glycine 0 N--CA 1.485 1.926 0 CA-C-N 113.904 -1.498 . . . . 0.0 110.312 176.584 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 177.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MYR . . . . . 0.742 ' H41' HG11 ' A' ' 4' ' ' VAL . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_