data_2mg0_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 2mg0 _Structure_validation_residue.Date_analyzed 2016-10-08 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 full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.37 21.34 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-O 121.161 0.505 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 mt -125.27 -6.08 7.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.198 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -152.64 -33.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.062 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ASN . 28.6 t-20 -48.45 -42.75 33.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.406 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -48.59 -28.11 3.23 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.17 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.546 ' C ' ' H ' ' A' ' 9' ' ' ASN . 55.8 mt -81.67 -73.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.469 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.8 mt -55.08 -9.29 0.37 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.283 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.546 ' H ' ' C ' ' A' ' 7' ' ' ILE . 34.5 t30 -32.55 147.11 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.656 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -174.12 111.16 0.16 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.183 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.415 ' O ' ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.219 -0.505 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 1' ' ' ACE . 17.1 m 48.62 21.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 123.728 0.811 . . . . 0.0 111.897 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -128.26 -6.14 5.4 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.103 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.76 -34.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -48.16 -40.41 23.85 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.501 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -51.91 -25.47 8.15 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.279 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.546 ' C ' ' H ' ' A' ' 9' ' ' ASN . 61.4 mt -84.15 -73.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.557 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 10' ' ' HIS . 15.7 mt -54.4 -9.56 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.346 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.546 ' H ' ' C ' ' A' ' 7' ' ' ILE . 63.7 t30 -32.25 88.41 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.679 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 11' ' ' NH2 . 0.8 OUTLIER -41.25 -59.21 1.59 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.994 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.611 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.059 -1.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 2' ' ' VAL . 3.9 p 178.89 59.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.816 0.817 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.5 mt -134.16 -21.53 1.84 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.917 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.3 m -146.26 -17.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.509 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 7' ' ' ILE . 37.0 t-20 -65.28 -48.27 73.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.326 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.15 -16.88 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.181 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.56 ' C ' ' H ' ' A' ' 9' ' ' ASN . 69.0 mt -93.71 -74.89 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.486 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' ASN . 14.0 mt -57.13 -6.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.527 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.56 ' H ' ' C ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -33.66 156.11 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.717 -179.542 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 9' ' ' ASN . 10.1 t-160 38.62 94.44 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.133 -1.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m -141.96 21.0 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-O 121.159 0.504 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.0 mt -125.91 -9.19 6.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.584 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -149.16 -16.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.521 ' C ' ' H ' ' A' ' 7' ' ' ILE . 54.8 t-20 -65.82 -47.44 75.03 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.297 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.401 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 21.0 mp0 -45.2 -14.29 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.359 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.537 ' C ' ' H ' ' A' ' 9' ' ' ASN . 70.1 mt -97.52 -76.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.691 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.9 mt -52.54 -10.81 0.16 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.686 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' A' ' 7' ' ' ILE . 14.1 t-20 -33.47 138.0 0.08 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.503 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -41.56 110.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.141 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -177.86 -13.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 0.0 111.089 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.6 mt -99.58 -21.44 15.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.439 179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.5 m -138.44 -15.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.29 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.492 ' C ' ' H ' ' A' ' 7' ' ' ILE . 35.0 t-20 -70.31 -46.69 63.74 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.058 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -44.48 -17.02 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.536 ' C ' ' H ' ' A' ' 9' ' ' ASN . 75.5 mt -93.23 -76.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.362 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.9 mt -55.4 -8.6 0.36 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.542 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.536 ' H ' ' C ' ' A' ' 7' ' ' ILE . 2.2 t-20 -31.8 -93.73 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.71 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -40.63 113.9 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.235 -1.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.8 m -145.82 22.39 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.216 0.531 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.1 mt -118.03 -15.17 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.648 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.9 m -146.67 -17.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.112 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.468 ' C ' ' N ' ' A' ' 7' ' ' ILE . 30.8 t-20 -68.05 -43.98 77.43 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.119 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -44.89 -18.89 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.714 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.543 ' C ' ' H ' ' A' ' 9' ' ' ASN . 64.8 mt -93.22 -76.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.608 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 9' ' ' ASN . 15.8 mt -54.53 -9.06 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.625 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.543 ' H ' ' C ' ' A' ' 7' ' ' ILE . 1.5 t-20 -29.76 -98.92 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.992 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 27.8 p80 -46.32 137.43 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.67 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.088 -1.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -178.61 -16.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 121.216 0.531 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.9 mt -106.53 -18.23 14.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.357 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.6 m -133.52 -17.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.124 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.513 ' C ' ' H ' ' A' ' 7' ' ' ILE . 31.9 t-20 -70.36 -46.63 63.72 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.969 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -44.91 -15.62 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.54 ' C ' ' H ' ' A' ' 9' ' ' ASN . 77.1 mt -95.46 -76.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.554 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.4 mt -53.77 -9.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.682 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.54 ' H ' ' C ' ' A' ' 7' ' ' ILE . 31.1 t30 -32.72 118.12 0.27 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.505 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.657 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 31.7 t-80 -41.45 -86.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.657 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.233 -1.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.409 ' O ' ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.221 -0.426 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.409 ' CG2' ' O ' ' A' ' 1' ' ' ACE . 16.9 m 48.68 21.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 O-C-N 123.955 0.785 . . . . 0.0 111.881 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 mt -128.53 -5.7 5.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.042 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.41 -34.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' ASN . 29.8 t-20 -47.53 -42.64 23.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.453 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -49.63 -27.47 4.65 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.285 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.551 ' C ' ' H ' ' A' ' 9' ' ' ASN . 59.2 mt -82.01 -74.03 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.467 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.5 mt -54.84 -9.38 0.34 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.378 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.551 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.3 t30 -32.46 -88.7 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.616 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -42.07 -92.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 119.973 -1.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.018 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 t 71.74 7.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 122.121 0.962 . . . . 0.0 109.322 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.6 mt -112.37 -8.55 13.91 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 113.721 -1.581 . . . . 0.0 109.145 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -158.48 -30.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.99 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -47.41 -43.93 24.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.518 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -49.01 -30.4 6.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.14 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.539 ' C ' ' H ' ' A' ' 9' ' ' ASN . 58.5 mt -78.69 -75.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.652 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' HIS . 16.5 mt -53.54 -10.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.491 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.539 ' H ' ' C ' ' A' ' 7' ' ' ILE . 31.1 t30 -32.5 88.68 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.522 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 11' ' ' NH2 . 6.2 p-80 -41.82 -30.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.963 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.545 ' N ' ' CD2' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.075 -1.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -146.57 21.64 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-O 121.091 0.472 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -121.53 -8.79 9.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.421 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.4 m -151.29 -21.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.031 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.508 ' C ' ' H ' ' A' ' 7' ' ' ILE . 63.1 t30 -65.64 -45.39 83.2 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.147 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -45.6 -15.04 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.154 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.538 ' C ' ' H ' ' A' ' 9' ' ' ASN . 66.9 mt -97.55 -76.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.646 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' HIS . 15.0 mt -52.94 -10.31 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.663 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.538 ' H ' ' C ' ' A' ' 7' ' ' ILE . 22.5 t-20 -32.95 88.74 0.0 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.555 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.641 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 0.0 OUTLIER -41.72 -22.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.641 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -146.51 20.86 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 121.168 0.508 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -121.73 -11.83 8.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.458 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.0 m -149.25 -17.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.181 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.504 ' C ' ' H ' ' A' ' 7' ' ' ILE . 33.8 t-20 -67.09 -45.72 76.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.365 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.5 OUTLIER -45.48 -15.4 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.954 -179.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.551 ' C ' ' H ' ' A' ' 9' ' ' ASN . 67.8 mt -96.75 -75.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.685 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.4 mt -54.33 -8.74 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.594 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.551 ' H ' ' C ' ' A' ' 7' ' ' ILE . 12.5 p30 -30.78 148.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.746 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 11' ' ' NH2 . 9.1 t60 -174.35 -114.13 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.599 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.227 -1.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.9 m -151.02 20.83 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 121.192 0.52 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.15 -7.72 9.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.258 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -155.39 -32.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.612 -1.177 . . . . 0.0 108.99 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' ASN . 63.7 t30 -48.84 -42.17 35.45 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.392 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -49.04 -28.8 4.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.161 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.544 ' C ' ' H ' ' A' ' 9' ' ' ASN . 56.0 mt -80.76 -74.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.503 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.7 mt -54.68 -9.59 0.35 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.305 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.544 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.6 t30 -32.12 146.77 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.637 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -174.08 120.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.49 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.42 ' O ' ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.22 -0.453 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 1' ' ' ACE . 16.3 m 48.78 21.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 123.653 0.781 . . . . 0.0 111.934 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 mt -128.25 -10.33 5.25 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.135 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.27 -33.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -47.74 -43.66 27.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.569 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -49.32 -26.31 3.02 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.477 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.548 ' C ' ' H ' ' A' ' 9' ' ' ASN . 61.1 mt -82.84 -74.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.491 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.48 -9.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.303 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.548 ' H ' ' C ' ' A' ' 7' ' ' ILE . 5.9 t-20 -33.05 149.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.494 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.425 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 17.0 t-80 -174.11 96.72 0.1 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.157 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.8 m -148.72 20.89 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-O 121.236 0.541 . . . . 0.0 110.219 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.19 -13.1 9.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.297 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -148.27 -31.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.249 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -47.37 -44.63 24.25 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.635 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 48.0 mt-10 -49.52 -22.43 1.24 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.514 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' C ' ' H ' ' A' ' 9' ' ' ASN . 60.3 mt -87.84 -73.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.612 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.8 mt -57.3 -6.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.352 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.559 ' H ' ' C ' ' A' ' 7' ' ' ILE . 2.9 p-10 -30.7 113.39 0.1 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.816 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.555 ' ND1' ' N ' ' A' ' 11' ' ' NH2 . 0.4 OUTLIER -41.93 -43.59 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.735 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.555 ' N ' ' ND1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.179 -1.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.418 ' O ' ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.221 -0.433 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.418 ' CG2' ' O ' ' A' ' 1' ' ' ACE . 16.7 m 49.03 20.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 123.658 0.783 . . . . 0.0 111.893 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 mt -127.44 -10.5 5.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.335 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.4 m -146.98 -17.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.501 ' C ' ' H ' ' A' ' 7' ' ' ILE . 37.1 t-20 -67.46 -48.16 68.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.338 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -44.69 -15.49 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.53 ' C ' ' H ' ' A' ' 9' ' ' ASN . 74.6 mt -95.15 -76.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.496 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.9 mt -53.5 -10.26 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.582 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.53 ' H ' ' C ' ' A' ' 7' ' ' ILE . 10.0 t-20 -32.61 -89.58 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.581 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.455 ' ND1' ' C ' ' A' ' 10' ' ' HIS . 0.3 OUTLIER -41.75 106.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.447 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.11 -1.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -145.81 21.0 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 121.207 0.527 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -121.15 -13.02 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.626 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.38 -16.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.155 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 7' ' ' ILE . 31.5 t-20 -67.46 -48.88 65.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.321 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -44.6 -15.8 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.29 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.527 ' C ' ' H ' ' A' ' 9' ' ' ASN . 75.8 mt -94.51 -77.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.697 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.0 mt -53.38 -10.26 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.546 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' H ' ' C ' ' A' ' 7' ' ' ILE . 12.9 t-20 -33.33 152.07 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.572 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -174.2 121.49 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.488 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.211 -1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -148.41 21.47 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-O 121.213 0.53 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 mt -125.0 -5.27 7.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.192 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -154.0 -33.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.105 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' ASN . 25.1 t-20 -48.02 -44.05 30.6 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.513 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -48.3 -26.74 2.14 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.32 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' C ' ' H ' ' A' ' 9' ' ' ASN . 57.5 mt -83.09 -74.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.504 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.3 mt -55.6 -8.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.38 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.555 ' H ' ' C ' ' A' ' 7' ' ' ILE . 1.8 t-20 -31.4 -87.08 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.671 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.47 ' ND1' ' N ' ' A' ' 11' ' ' NH2 . 5.3 t60 -174.43 153.7 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.519 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.47 ' N ' ' ND1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.161 -1.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.5 m -146.83 20.11 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-O 121.246 0.546 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 mt -121.65 -12.98 8.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.547 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.3 m -147.64 -16.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.152 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.501 ' C ' ' H ' ' A' ' 7' ' ' ILE . 27.7 t-20 -68.08 -47.94 66.88 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.398 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -44.71 -15.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.198 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.535 ' C ' ' H ' ' A' ' 9' ' ' ASN . 74.8 mt -94.95 -76.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.519 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.1 mt -54.76 -9.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.531 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 7' ' ' ILE . 2.7 t-20 -31.74 -87.04 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.612 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.586 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 17.5 t-80 -174.4 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.586 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.177 -1.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . 0.414 ' O ' ' CG2' ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.22 -0.45 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 1' ' ' ACE . 16.8 m 48.92 21.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 123.689 0.796 . . . . 0.0 111.862 . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 mt -128.35 -8.12 5.26 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.417 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.85 -18.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 7' ' ' ILE . 39.7 t-20 -66.17 -44.9 82.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.262 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -44.93 -17.86 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.841 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.547 ' C ' ' H ' ' A' ' 9' ' ' ASN . 63.6 mt -94.4 -76.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.798 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 9' ' ' ASN . 15.8 mt -53.89 -9.38 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.693 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.547 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.6 t30 -30.01 -98.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.889 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -43.92 161.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.831 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.08 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.1 t 72.72 5.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 122.238 1.018 . . . . 0.0 109.37 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -102.22 -19.68 14.97 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.613 -1.63 . . . . 0.0 109.338 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 m -150.04 -14.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.774 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 7' ' ' ILE . 24.8 t-20 -68.79 -49.61 57.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.293 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -44.3 -15.65 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.237 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.517 ' C ' ' H ' ' A' ' 9' ' ' ASN . 80.1 mt -94.37 -77.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.664 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.8 mt -52.92 -10.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.573 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.517 ' H ' ' C ' ' A' ' 7' ' ' ILE . 29.4 t30 -34.02 150.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.388 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.501 ' CG ' ' N ' ' A' ' 11' ' ' NH2 . 77.4 t60 -174.13 -106.34 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' NH2 . . . . . 0.501 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 120.178 -1.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.37 21.34 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-O 121.161 0.505 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 mt -125.27 -6.08 7.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.198 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -152.64 -33.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.062 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ASN . 28.6 t-20 -48.45 -42.75 33.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.406 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -48.59 -28.11 3.23 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.17 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.503 ' C ' ' H ' ' A' ' 9' ' ' ASN . 55.8 mt -81.67 -73.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.469 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.8 mt -55.08 -9.29 0.37 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.283 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' H ' ' C ' ' A' ' 7' ' ' ILE . 34.5 t30 -32.55 147.11 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.656 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -174.12 111.16 0.16 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.183 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.533 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.219 -0.505 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 1' ' ' ACE . 17.1 m 48.62 21.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 123.728 0.811 . . . . 0.0 111.897 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -128.26 -6.14 5.4 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.103 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.76 -34.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -48.16 -40.41 23.85 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.501 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -51.91 -25.47 8.15 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.279 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.504 ' C ' ' H ' ' A' ' 9' ' ' ASN . 61.4 mt -84.15 -73.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.557 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 10' ' ' HIS . 15.7 mt -54.4 -9.56 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.346 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 7' ' ' ILE . 63.7 t30 -32.25 88.41 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.679 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 11' ' ' NH2 . 0.8 OUTLIER -41.25 -59.21 1.59 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.994 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.611 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.059 -1.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.705 ' O ' HG22 ' A' ' 2' ' ' VAL . 3.9 p 178.89 59.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.816 0.817 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.5 mt -134.16 -21.53 1.84 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.917 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.3 m -146.26 -17.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.509 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 7' ' ' ILE . 37.0 t-20 -65.28 -48.27 73.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.326 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.15 -16.88 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.181 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.535 ' C ' ' H ' ' A' ' 9' ' ' ASN . 69.0 mt -93.71 -74.89 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.486 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' ASN . 14.0 mt -57.13 -6.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.527 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 7' ' ' ILE . 52.1 p-10 -33.66 156.11 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.717 -179.542 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 9' ' ' ASN . 1.0 OUTLIER 38.62 94.44 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.622 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.133 -1.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m -141.96 21.0 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-O 121.159 0.504 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.0 mt -125.91 -9.19 6.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.584 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -149.16 -16.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' ILE . 54.8 t-20 -65.82 -47.44 75.03 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.297 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 21.0 mp0 -45.2 -14.29 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.359 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.506 ' C ' ' H ' ' A' ' 9' ' ' ASN . 70.1 mt -97.52 -76.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.691 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.9 mt -52.54 -10.81 0.16 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.686 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' A' ' 7' ' ' ILE . 14.1 t-20 -33.47 138.0 0.08 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.503 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -41.56 110.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.141 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.571 ' H1 ' ' HB2' ' A' ' 5' ' ' ASN . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' H ' ' H ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -177.86 -13.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 0.0 111.089 . . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.424 ' H ' ' H ' ' A' ' 2' ' ' VAL . 14.6 mt -99.58 -21.44 15.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.439 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.5 m -138.44 -15.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.29 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.571 ' HB2' ' H1 ' ' A' ' 1' ' ' ACE . 35.0 t-20 -70.31 -46.69 63.74 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.058 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -44.48 -17.02 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 9' ' ' ASN . 75.5 mt -93.23 -76.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.362 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.9 mt -55.4 -8.6 0.36 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.542 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 7' ' ' ILE . 32.0 t30 -31.8 -93.73 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.71 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -40.63 113.9 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.235 -1.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.8 m -145.82 22.39 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.216 0.531 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.1 mt -118.03 -15.17 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.648 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.9 m -146.67 -17.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.112 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.468 ' C ' ' N ' ' A' ' 7' ' ' ILE . 30.8 t-20 -68.05 -43.98 77.43 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.119 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -44.89 -18.89 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.714 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.52 ' C ' ' H ' ' A' ' 9' ' ' ASN . 64.8 mt -93.22 -76.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.608 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 9' ' ' ASN . 15.8 mt -54.53 -9.06 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.625 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.2 t30 -29.76 -98.92 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.992 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 27.8 p80 -46.32 137.43 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.67 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.088 -1.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.541 ' H1 ' ' HB2' ' A' ' 5' ' ' ASN . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -178.61 -16.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 121.216 0.531 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.9 mt -106.53 -18.23 14.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.357 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.6 m -133.52 -17.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.124 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.541 ' HB2' ' H1 ' ' A' ' 1' ' ' ACE . 31.9 t-20 -70.36 -46.63 63.72 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.969 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -44.91 -15.62 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' C ' ' H ' ' A' ' 9' ' ' ASN . 77.1 mt -95.46 -76.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.554 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.4 mt -53.77 -9.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.682 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 7' ' ' ILE . 31.1 t30 -32.72 118.12 0.27 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.505 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.678 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 31.7 t-80 -41.45 -86.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.678 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.233 -1.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.531 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.221 -0.426 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 1' ' ' ACE . 16.9 m 48.68 21.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 O-C-N 123.955 0.785 . . . . 0.0 111.881 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 mt -128.53 -5.7 5.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.042 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.41 -34.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' ASN . 29.8 t-20 -47.53 -42.64 23.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.453 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -49.63 -27.47 4.65 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.285 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' A' ' 9' ' ' ASN . 59.2 mt -82.01 -74.03 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.467 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.5 mt -54.84 -9.38 0.34 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.378 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.3 t30 -32.46 -88.7 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.616 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -42.07 -92.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 119.973 -1.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.587 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.229 -0.018 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.587 HG23 ' C ' ' A' ' 1' ' ' ACE . 2.1 t 71.74 7.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 122.121 0.962 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.6 mt -112.37 -8.55 13.91 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 113.721 -1.581 . . . . 0.0 109.145 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -158.48 -30.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.99 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -47.41 -43.93 24.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.518 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -49.01 -30.4 6.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.14 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.497 ' C ' ' H ' ' A' ' 9' ' ' ASN . 58.5 mt -78.69 -75.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.652 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' HIS . 16.5 mt -53.54 -10.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.491 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' H ' ' C ' ' A' ' 7' ' ' ILE . 31.1 t30 -32.5 88.68 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.522 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.508 ' N ' ' O ' ' A' ' 8' ' ' LEU . 16.6 p80 -41.82 -30.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.963 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.075 -1.641 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -146.57 21.64 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-O 121.091 0.472 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -121.53 -8.79 9.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.421 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.4 m -151.29 -21.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.031 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 7' ' ' ILE . 63.1 t30 -65.64 -45.39 83.2 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.147 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -45.6 -15.04 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.154 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.504 ' C ' ' H ' ' A' ' 9' ' ' ASN . 66.9 mt -97.55 -76.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.646 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' HIS . 15.0 mt -52.94 -10.31 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.663 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 7' ' ' ILE . 22.5 t-20 -32.95 88.74 0.0 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.555 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 0.0 OUTLIER -41.72 -22.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.658 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -146.51 20.86 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 121.168 0.508 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -121.73 -11.83 8.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.458 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.0 m -149.25 -17.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.181 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' ILE . 33.8 t-20 -67.09 -45.72 76.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.365 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 0.5 OUTLIER -45.48 -15.4 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.954 -179.627 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 9' ' ' ASN . 67.8 mt -96.75 -75.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.685 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.4 mt -54.33 -8.74 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.594 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 7' ' ' ILE . 1.6 p-10 -30.78 148.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.746 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 11' ' ' NH2 . 9.1 t60 -174.35 -114.13 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.599 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.227 -1.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.9 m -151.02 20.83 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 121.192 0.52 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.15 -7.72 9.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.258 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -155.39 -32.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.612 -1.177 . . . . 0.0 108.99 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' ASN . 63.7 t30 -48.84 -42.17 35.45 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.392 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -49.04 -28.8 4.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.161 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 9' ' ' ASN . 56.0 mt -80.76 -74.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.503 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.7 mt -54.68 -9.59 0.35 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.305 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.6 t30 -32.12 146.77 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.637 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -174.08 120.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.49 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.535 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.22 -0.453 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 1' ' ' ACE . 16.3 m 48.78 21.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 123.653 0.781 . . . . 0.0 111.934 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 mt -128.25 -10.33 5.25 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.135 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.27 -33.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -47.74 -43.66 27.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.569 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -49.32 -26.31 3.02 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.477 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' C ' ' H ' ' A' ' 9' ' ' ASN . 61.1 mt -82.84 -74.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.491 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.48 -9.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.303 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 7' ' ' ILE . 31.1 t30 -33.05 149.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.494 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -174.11 96.72 0.1 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.415 179.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.157 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.59 ' H ' HD12 ' A' ' 3' ' ' LEU . 30.8 m -148.72 20.89 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-O 121.236 0.541 . . . . 0.0 110.219 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.59 HD12 ' H ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -119.19 -13.1 9.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.297 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -148.27 -31.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.249 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -47.37 -44.63 24.25 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.635 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 48.0 mt-10 -49.52 -22.43 1.24 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.514 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 9' ' ' ASN . 60.3 mt -87.84 -73.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.612 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.8 mt -57.3 -6.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.352 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 9' ' ' ASN . 2.9 p-10 -30.7 113.39 0.1 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.816 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.555 ' ND1' ' N ' ' A' ' 11' ' ' NH2 . 0.4 OUTLIER -41.93 -43.59 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.735 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.555 ' N ' ' ND1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.179 -1.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.539 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.221 -0.433 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 1' ' ' ACE . 16.7 m 49.03 20.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 123.658 0.783 . . . . 0.0 111.893 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 mt -127.44 -10.5 5.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.335 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.4 m -146.98 -17.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 7' ' ' ILE . 37.1 t-20 -67.46 -48.16 68.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.338 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -44.69 -15.49 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.51 ' C ' ' H ' ' A' ' 9' ' ' ASN . 74.6 mt -95.15 -76.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.496 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.9 mt -53.5 -10.26 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.582 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.51 ' H ' ' C ' ' A' ' 7' ' ' ILE . 10.0 t-20 -32.61 -89.58 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.581 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.479 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 0.3 OUTLIER -41.75 106.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.479 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.11 -1.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -145.81 21.0 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 121.207 0.527 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -121.15 -13.02 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.626 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.38 -16.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.155 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 7' ' ' ILE . 31.5 t-20 -67.46 -48.88 65.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.321 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -44.6 -15.8 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.29 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' C ' ' H ' ' A' ' 9' ' ' ASN . 75.8 mt -94.51 -77.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.697 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.0 mt -53.38 -10.26 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.546 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 7' ' ' ILE . 12.9 t-20 -33.33 152.07 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.572 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -174.2 121.49 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.488 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.211 -1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -148.41 21.47 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-O 121.213 0.53 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 mt -125.0 -5.27 7.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.192 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -154.0 -33.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.105 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' ASN . 25.1 t-20 -48.02 -44.05 30.6 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.513 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -48.3 -26.74 2.14 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.32 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.522 ' C ' ' H ' ' A' ' 9' ' ' ASN . 57.5 mt -83.09 -74.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.504 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.3 mt -55.6 -8.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.38 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.9 t30 -31.4 -87.08 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.671 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.47 ' ND1' ' N ' ' A' ' 11' ' ' NH2 . 5.3 t60 -174.43 153.7 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.519 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.47 ' N ' ' ND1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.161 -1.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.5 m -146.83 20.11 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-O 121.246 0.546 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 mt -121.65 -12.98 8.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.547 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.3 m -147.64 -16.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.152 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 7' ' ' ILE . 27.7 t-20 -68.08 -47.94 66.88 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.398 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -44.71 -15.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.198 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.512 ' C ' ' H ' ' A' ' 9' ' ' ASN . 74.8 mt -94.95 -76.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.519 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.1 mt -54.76 -9.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.531 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 7' ' ' ILE . 32.4 t30 -31.74 -87.04 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.612 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.612 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 17.5 t-80 -174.4 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.612 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.177 -1.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.532 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.22 -0.45 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 1' ' ' ACE . 16.8 m 48.92 21.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 123.689 0.796 . . . . 0.0 111.862 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 mt -128.35 -8.12 5.26 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.417 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.85 -18.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 7' ' ' ILE . 39.7 t-20 -66.17 -44.9 82.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.262 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -44.93 -17.86 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.841 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.522 ' C ' ' H ' ' A' ' 9' ' ' ASN . 63.6 mt -94.4 -76.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.798 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 9' ' ' ASN . 15.8 mt -53.89 -9.38 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.693 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.6 t30 -30.01 -98.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.889 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -43.92 161.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.831 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.08 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ACE . . . . . 0.606 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.606 HG23 ' C ' ' A' ' 1' ' ' ACE . 2.1 t 72.72 5.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 122.238 1.018 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -102.22 -19.68 14.97 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.613 -1.63 . . . . 0.0 109.338 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 m -150.04 -14.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.774 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 7' ' ' ILE . 24.8 t-20 -68.79 -49.61 57.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.293 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -44.3 -15.65 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.237 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 5' ' ' ASN . 80.1 mt -94.37 -77.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.664 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.8 mt -52.92 -10.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.573 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 7' ' ' ILE . 29.4 t30 -34.02 150.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.388 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.501 ' CG ' ' N ' ' A' ' 11' ' ' NH2 . 77.4 t60 -174.13 -106.34 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' NH2 . . . . . 0.501 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 120.178 -1.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.192 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.0 m -148.37 21.34 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.379 0 CA-C-O 121.161 0.505 . . . . 0.0 110.185 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 mt -125.27 -6.08 7.15 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.526 -0.761 . . . . 0.0 109.198 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -152.64 -33.14 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 114.68 -1.145 . . . . 0.0 109.062 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.448 ' O ' ' N ' ' A' ' 9' ' ' ASN . 28.6 t-20 -48.45 -42.75 33.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.406 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 59.9 tt0 -48.59 -28.11 3.23 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.17 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.503 ' C ' ' H ' ' A' ' 9' ' ' ASN . 55.8 mt -81.67 -73.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.469 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.8 mt -55.08 -9.29 0.37 Allowed 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.283 179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' H ' ' C ' ' A' ' 7' ' ' ILE . 34.5 t30 -32.55 147.11 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.054 -0.975 . . . . 0.0 111.656 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -174.12 111.16 0.16 Allowed 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.515 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.183 -1.573 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.533 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.219 -0.505 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 1' ' ' ACE . 17.1 m 48.62 21.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 C-N-CA 123.728 0.811 . . . . 0.0 111.897 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.5 mt -128.26 -6.14 5.4 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.403 -0.817 . . . . 0.0 109.103 178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.76 -34.4 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 114.613 -1.176 . . . . 0.0 109.279 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -48.16 -40.41 23.85 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.501 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 26.4 tp10 -51.91 -25.47 8.15 Favored 'General case' 0 N--CA 1.452 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 111.279 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.504 ' C ' ' H ' ' A' ' 9' ' ' ASN . 61.4 mt -84.15 -73.52 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.557 -179.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' A' ' 10' ' ' HIS . 15.7 mt -54.4 -9.56 0.31 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.491 -0.777 . . . . 0.0 109.346 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 7' ' ' ILE . 63.7 t30 -32.25 88.41 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 115.033 -0.985 . . . . 0.0 111.679 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 11' ' ' NH2 . 0.8 OUTLIER -41.25 -59.21 1.59 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.994 -179.832 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.611 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 120.059 -1.651 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.705 ' O ' HG22 ' A' ' 2' ' ' VAL . 3.9 p 178.89 59.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-O 121.816 0.817 . . . . 0.0 109.896 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 31.5 mt -134.16 -21.53 1.84 Allowed 'General case' 0 C--N 1.317 -0.821 0 CA-C-N 114.869 -1.06 . . . . 0.0 108.917 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.3 m -146.26 -17.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 115.009 -0.996 . . . . 0.0 110.509 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.493 ' O ' ' N ' ' A' ' 7' ' ' ILE . 37.0 t-20 -65.28 -48.27 73.77 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.326 179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 -44.15 -16.88 0.02 OUTLIER 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.181 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.535 ' C ' ' H ' ' A' ' 9' ' ' ASN . 69.0 mt -93.71 -74.89 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.486 -179.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' ASN . 14.0 mt -57.13 -6.16 0.35 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.519 -0.764 . . . . 0.0 109.527 179.439 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.535 ' H ' ' C ' ' A' ' 7' ' ' ILE . 0.0 OUTLIER -33.66 156.11 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.203 0 CA-C-N 115.243 -0.89 . . . . 0.0 111.717 -179.542 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.417 ' O ' ' O ' ' A' ' 9' ' ' ASN . 10.1 t-160 38.62 94.44 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.872 179.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.374 0 O-C-N 120.133 -1.604 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.047 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 22.1 m -141.96 21.0 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-O 121.159 0.504 . . . . 0.0 110.242 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.0 mt -125.91 -9.19 6.62 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.584 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.1 m -149.16 -16.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.26 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 7' ' ' ILE . 54.8 t-20 -65.82 -47.44 75.03 Favored 'General case' 0 N--CA 1.449 -0.522 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.297 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.47 ' H ' ' CD ' ' A' ' 6' ' ' GLU . 21.0 mp0 -45.2 -14.29 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.359 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.506 ' C ' ' H ' ' A' ' 9' ' ' ASN . 70.1 mt -97.52 -76.63 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.691 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.9 mt -52.54 -10.81 0.16 Allowed 'General case' 0 CA--C 1.519 -0.22 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.686 179.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.506 ' H ' ' C ' ' A' ' 7' ' ' ILE . 14.1 t-20 -33.47 138.0 0.08 Allowed 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.503 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -41.56 110.86 0.18 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.929 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 120.141 -1.599 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.571 ' H1 ' ' HB2' ' A' ' 5' ' ' ASN . . . . . . . . 0 C--O 1.232 0.148 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.424 ' H ' ' H ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -177.86 -13.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.125 0.488 . . . . 0.0 111.089 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.424 ' H ' ' H ' ' A' ' 2' ' ' VAL . 14.6 mt -99.58 -21.44 15.88 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.626 -0.715 . . . . 0.0 109.439 179.569 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.5 m -138.44 -15.28 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-N 114.805 -1.089 . . . . 0.0 109.29 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.571 ' HB2' ' H1 ' ' A' ' 1' ' ' ACE . 35.0 t-20 -70.31 -46.69 63.74 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.058 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 73.2 mt-10 -44.48 -17.02 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.891 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 9' ' ' ASN . 75.5 mt -93.23 -76.52 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.547 -0.752 . . . . 0.0 110.362 -179.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.9 mt -55.4 -8.6 0.36 Allowed 'General case' 0 N--CA 1.454 -0.239 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.542 179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 7' ' ' ILE . 2.2 t-20 -31.8 -93.73 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.171 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.71 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.8 t-80 -40.63 113.9 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.97 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.235 -1.541 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 15.8 m -145.82 22.39 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.36 0 CA-C-O 121.216 0.531 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.1 mt -118.03 -15.17 9.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.43 -0.805 . . . . 0.0 109.648 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.9 m -146.67 -17.34 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.112 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.468 ' C ' ' N ' ' A' ' 7' ' ' ILE . 30.8 t-20 -68.05 -43.98 77.43 Favored 'General case' 0 N--CA 1.447 -0.595 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.119 179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -44.89 -18.89 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.714 -179.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.52 ' C ' ' H ' ' A' ' 9' ' ' ASN . 64.8 mt -93.22 -76.1 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.608 -179.735 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.44 ' O ' ' O ' ' A' ' 9' ' ' ASN . 15.8 mt -54.53 -9.06 0.27 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.646 -0.706 . . . . 0.0 109.625 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' H ' ' C ' ' A' ' 7' ' ' ILE . 1.5 t-20 -29.76 -98.92 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.992 -179.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.403 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 27.8 p80 -46.32 137.43 6.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.67 -179.706 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.353 0 O-C-N 120.088 -1.633 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.541 ' H1 ' ' HB2' ' A' ' 5' ' ' ASN . . . . . . . . 0 C--O 1.232 0.158 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -178.61 -16.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.34 0 CA-C-O 121.216 0.531 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 15.9 mt -106.53 -18.23 14.03 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-N 115.401 -0.818 . . . . 0.0 109.357 179.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.6 m -133.52 -17.16 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 114.708 -1.133 . . . . 0.0 109.124 179.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.541 ' HB2' ' H1 ' ' A' ' 1' ' ' ACE . 31.9 t-20 -70.36 -46.63 63.72 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.969 179.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 51.4 mm-40 -44.91 -15.62 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.358 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.987 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' C ' ' H ' ' A' ' 9' ' ' ASN . 77.1 mt -95.46 -76.78 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.554 -179.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.4 mt -53.77 -9.77 0.25 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.682 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 7' ' ' ILE . 31.1 t30 -32.72 118.12 0.27 Allowed 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.233 -0.894 . . . . 0.0 111.505 -179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.678 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 31.7 t-80 -41.45 -86.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 -179.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.678 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.372 0 O-C-N 120.233 -1.542 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.531 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.221 -0.426 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 1' ' ' ACE . 16.9 m 48.68 21.72 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 O-C-N 123.955 0.785 . . . . 0.0 111.881 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 mt -128.53 -5.7 5.27 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.275 -0.875 . . . . 0.0 109.042 178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.6 p -150.41 -34.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 CA-C-N 114.718 -1.128 . . . . 0.0 109.238 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 9' ' ' ASN . 29.8 t-20 -47.53 -42.64 23.77 Favored 'General case' 0 C--N 1.318 -0.764 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.453 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -49.63 -27.47 4.65 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.285 -179.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.516 ' C ' ' H ' ' A' ' 9' ' ' ASN . 59.2 mt -82.01 -74.03 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.467 -179.779 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.5 mt -54.84 -9.38 0.34 Allowed 'General case' 0 CA--C 1.518 -0.274 0 CA-C-N 115.443 -0.799 . . . . 0.0 109.378 179.365 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.516 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.3 t30 -32.46 -88.7 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.094 -0.957 . . . . 0.0 111.616 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 12.5 t60 -42.07 -92.77 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.955 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.296 0 O-C-N 119.973 -1.705 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.587 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.229 -0.018 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.587 HG23 ' C ' ' A' ' 1' ' ' ACE . 2.1 t 71.74 7.57 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 122.121 0.962 . . . . 0.0 109.322 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.6 mt -112.37 -8.55 13.91 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-N 113.721 -1.581 . . . . 0.0 109.145 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -158.48 -30.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 114.615 -1.175 . . . . 0.0 108.99 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 42.9 t-20 -47.41 -43.93 24.06 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.518 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -49.01 -30.4 6.07 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.14 -179.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.497 ' C ' ' H ' ' A' ' 9' ' ' ASN . 58.5 mt -78.69 -75.45 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.652 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.508 ' O ' ' N ' ' A' ' 10' ' ' HIS . 16.5 mt -53.54 -10.25 0.25 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.575 -0.738 . . . . 0.0 109.491 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' H ' ' C ' ' A' ' 7' ' ' ILE . 31.1 t30 -32.5 88.68 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.198 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.522 -179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.545 ' CD2' ' N ' ' A' ' 11' ' ' NH2 . 6.2 p-80 -41.82 -30.14 0.23 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.963 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.545 ' N ' ' CD2' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.309 0 O-C-N 120.075 -1.641 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.101 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.0 m -146.57 21.64 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-O 121.091 0.472 . . . . 0.0 110.27 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -121.53 -8.79 9.04 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.544 -0.753 . . . . 0.0 109.421 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.4 m -151.29 -21.03 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.031 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 7' ' ' ILE . 63.1 t30 -65.64 -45.39 83.2 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 115.701 -0.682 . . . . 0.0 110.147 179.725 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -45.6 -15.04 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.154 -179.536 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.504 ' C ' ' H ' ' A' ' 9' ' ' ASN . 66.9 mt -97.55 -76.0 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.646 -179.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.519 ' O ' ' N ' ' A' ' 10' ' ' HIS . 15.0 mt -52.94 -10.31 0.16 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.663 179.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' H ' ' C ' ' A' ' 7' ' ' ILE . 22.5 t-20 -32.95 88.74 0.0 OUTLIER 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.555 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.658 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 0.0 OUTLIER -41.72 -22.66 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -179.878 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.658 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.32 0 O-C-N 120.194 -1.566 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.8 m -146.51 20.86 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.465 0 CA-C-O 121.168 0.508 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -121.73 -11.83 8.55 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.458 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 34.0 m -149.25 -17.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.134 -0.939 . . . . 0.0 110.181 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.48 ' O ' ' N ' ' A' ' 7' ' ' ILE . 33.8 t-20 -67.09 -45.72 76.42 Favored 'General case' 0 N--CA 1.448 -0.545 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.365 179.743 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.5 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 0.5 OUTLIER -45.48 -15.4 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.33 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.954 -179.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.524 ' C ' ' H ' ' A' ' 9' ' ' ASN . 67.8 mt -96.75 -75.69 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 CA-C-N 115.647 -0.706 . . . . 0.0 110.685 -179.668 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.4 mt -54.33 -8.74 0.23 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.59 -0.732 . . . . 0.0 109.594 179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' H ' ' C ' ' A' ' 7' ' ' ILE . 12.5 p30 -30.78 148.31 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.349 -0.841 . . . . 0.0 111.746 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.599 ' CG ' ' N ' ' A' ' 11' ' ' NH2 . 9.1 t60 -174.35 -114.13 0.0 OUTLIER 'General case' 0 N--CA 1.453 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.492 179.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.599 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.351 0 O-C-N 120.227 -1.546 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.105 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.9 m -151.02 20.83 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.449 -0.514 0 CA-C-O 121.192 0.52 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.1 mt -120.15 -7.72 9.81 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.373 -0.831 . . . . 0.0 109.258 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.3 p -155.39 -32.27 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 114.612 -1.177 . . . . 0.0 108.99 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.434 ' O ' ' N ' ' A' ' 9' ' ' ASN . 63.7 t30 -48.84 -42.17 35.45 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.24 -0.891 . . . . 0.0 110.392 179.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -49.04 -28.8 4.32 Favored 'General case' 0 N--CA 1.45 -0.438 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.161 -179.42 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 9' ' ' ASN . 56.0 mt -80.76 -74.19 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 115.409 -0.814 . . . . 0.0 110.503 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.7 mt -54.68 -9.59 0.35 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.392 -0.822 . . . . 0.0 109.305 179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.6 t30 -32.12 146.77 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.637 -179.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -174.08 120.53 0.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.49 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 120.129 -1.607 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.535 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.22 -0.453 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.535 HG22 ' O ' ' A' ' 1' ' ' ACE . 16.3 m 48.78 21.67 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 C-N-CA 123.653 0.781 . . . . 0.0 111.934 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.0 mt -128.25 -10.33 5.25 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.135 178.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -145.27 -33.56 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 CA-C-N 114.852 -1.067 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 35.8 t-20 -47.74 -43.66 27.26 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.569 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 57.0 mm-40 -49.32 -26.31 3.02 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.477 -179.417 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' C ' ' H ' ' A' ' 9' ' ' ASN . 61.1 mt -82.84 -74.09 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.491 -179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.4 mt -54.48 -9.76 0.34 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.303 179.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 7' ' ' ILE . 5.9 t-20 -33.05 149.37 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.12 -0.945 . . . . 0.0 111.494 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.408 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 17.0 t-80 -174.11 96.72 0.1 Allowed 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.415 179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.381 0 O-C-N 120.157 -1.589 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.118 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.59 ' H ' HD12 ' A' ' 3' ' ' LEU . 30.8 m -148.72 20.89 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.476 0 CA-C-O 121.236 0.541 . . . . 0.0 110.219 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.59 HD12 ' H ' ' A' ' 2' ' ' VAL . 0.6 OUTLIER -119.19 -13.1 9.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.454 -0.794 . . . . 0.0 109.297 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.4 p -148.27 -31.97 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 CA-C-N 114.68 -1.146 . . . . 0.0 109.249 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 26.1 t-20 -47.37 -44.63 24.25 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.325 -0.852 . . . . 0.0 110.635 179.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.428 ' O ' ' OD1' ' A' ' 9' ' ' ASN . 48.0 mt-10 -49.52 -22.43 1.24 Allowed 'General case' 0 N--CA 1.453 -0.296 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.514 -179.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' C ' ' H ' ' A' ' 9' ' ' ASN . 60.3 mt -87.84 -73.65 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.612 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.411 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.8 mt -57.3 -6.59 0.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.622 -0.717 . . . . 0.0 109.352 179.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 9' ' ' ASN . 2.9 p-10 -30.7 113.39 0.1 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-N 115.174 -0.921 . . . . 0.0 111.816 -179.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.555 ' ND1' ' N ' ' A' ' 11' ' ' NH2 . 0.4 OUTLIER -41.93 -43.59 3.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.899 -179.735 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.555 ' N ' ' ND1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 120.179 -1.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.539 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.221 -0.433 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.539 HG22 ' O ' ' A' ' 1' ' ' ACE . 16.7 m 49.03 20.67 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 C-N-CA 123.658 0.783 . . . . 0.0 111.893 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.7 mt -127.44 -10.5 5.72 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-N 115.409 -0.814 . . . . 0.0 109.335 178.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.4 m -146.98 -17.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.282 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.497 ' O ' ' N ' ' A' ' 7' ' ' ILE . 37.1 t-20 -67.46 -48.16 68.01 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.338 179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -44.69 -15.49 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.254 -179.671 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.51 ' C ' ' H ' ' A' ' 9' ' ' ASN . 74.6 mt -95.15 -76.88 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-N 115.781 -0.645 . . . . 0.0 110.496 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.9 mt -53.5 -10.26 0.24 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.582 179.542 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.51 ' H ' ' C ' ' A' ' 7' ' ' ILE . 10.0 t-20 -32.61 -89.58 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.19 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.581 -179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.479 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 0.3 OUTLIER -41.75 106.87 0.07 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 -179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.479 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.306 -1.318 0 O-C-N 120.11 -1.619 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.129 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 16.9 m -145.81 21.0 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.448 -0.535 0 CA-C-O 121.207 0.527 . . . . 0.0 110.397 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.8 mt -121.15 -13.02 8.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.505 -0.77 . . . . 0.0 109.626 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 33.0 m -148.38 -16.17 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.08 -0.964 . . . . 0.0 110.155 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.502 ' O ' ' N ' ' A' ' 7' ' ' ILE . 31.5 t-20 -67.46 -48.88 65.9 Favored 'General case' 0 N--CA 1.449 -0.504 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.321 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -44.6 -15.8 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.363 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.29 -179.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.505 ' C ' ' H ' ' A' ' 9' ' ' ASN . 75.8 mt -94.51 -77.13 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.697 -179.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.0 mt -53.38 -10.26 0.22 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.666 -0.697 . . . . 0.0 109.546 179.553 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.505 ' H ' ' C ' ' A' ' 7' ' ' ILE . 12.9 t-20 -33.33 152.07 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.166 0 CA-C-N 115.277 -0.874 . . . . 0.0 111.572 -179.838 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 75.4 t60 -174.2 121.49 0.28 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.488 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.367 0 O-C-N 120.211 -1.555 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.2 m -148.41 21.47 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.437 0 CA-C-O 121.213 0.53 . . . . 0.0 110.209 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 mt -125.0 -5.27 7.41 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.442 -0.799 . . . . 0.0 109.192 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 1.5 p -154.0 -33.24 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 114.659 -1.155 . . . . 0.0 109.105 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.444 ' O ' ' N ' ' A' ' 9' ' ' ASN . 25.1 t-20 -48.02 -44.05 30.6 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.513 179.826 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 19.2 tp10 -48.3 -26.74 2.14 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.32 -179.345 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.522 ' C ' ' H ' ' A' ' 9' ' ' ASN . 57.5 mt -83.09 -74.57 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.661 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.504 -179.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.3 mt -55.6 -8.53 0.39 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.574 -0.739 . . . . 0.0 109.38 179.438 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 7' ' ' ILE . 1.8 t-20 -31.4 -87.08 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.169 0 CA-C-N 115.04 -0.982 . . . . 0.0 111.671 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.47 ' ND1' ' N ' ' A' ' 11' ' ' NH2 . 5.3 t60 -174.43 153.7 1.96 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.519 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.47 ' N ' ' ND1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 120.161 -1.587 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.1 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 32.5 m -146.83 20.11 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.45 -0.464 0 CA-C-O 121.246 0.546 . . . . 0.0 110.26 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.7 mt -121.65 -12.98 8.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.407 -0.815 . . . . 0.0 109.547 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 31.3 m -147.64 -16.78 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 115.086 -0.961 . . . . 0.0 110.152 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.498 ' O ' ' N ' ' A' ' 7' ' ' ILE . 27.7 t-20 -68.08 -47.94 66.88 Favored 'General case' 0 N--CA 1.447 -0.581 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.398 179.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -44.71 -15.61 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.402 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.198 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.512 ' C ' ' H ' ' A' ' 9' ' ' ASN . 74.8 mt -94.95 -76.66 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.519 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' C ' ' A' ' 9' ' ' ASN . 15.1 mt -54.76 -9.18 0.31 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.531 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' H ' ' C ' ' A' ' 7' ' ' ILE . 2.7 t-20 -31.74 -87.04 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.231 -0.895 . . . . 0.0 111.612 -179.789 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.612 ' HD1' ' N ' ' A' ' 11' ' ' NH2 . 17.5 t-80 -174.4 -77.25 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.399 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.612 ' N ' ' HD1' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 120.177 -1.577 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.532 ' O ' HG22 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.22 -0.45 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.532 HG22 ' O ' ' A' ' 1' ' ' ACE . 16.8 m 48.92 21.26 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.178 0 C-N-CA 123.689 0.796 . . . . 0.0 111.862 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 13.8 mt -128.35 -8.12 5.26 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-N 115.349 -0.841 . . . . 0.0 109.417 178.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.85 -18.4 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.076 -0.965 . . . . 0.0 110.339 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 7' ' ' ILE . 39.7 t-20 -66.17 -44.9 82.73 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.262 179.726 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' OE2' ' O ' ' A' ' 6' ' ' GLU . 0.8 OUTLIER -44.93 -17.86 0.02 OUTLIER 'General case' 0 N--CA 1.452 -0.345 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.841 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.522 ' C ' ' H ' ' A' ' 9' ' ' ASN . 63.6 mt -94.4 -76.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.798 -179.723 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.435 ' O ' ' O ' ' A' ' 9' ' ' ASN . 15.8 mt -53.89 -9.38 0.23 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.693 179.562 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.522 ' H ' ' C ' ' A' ' 7' ' ' ILE . 33.6 t30 -30.01 -98.48 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 115.188 -0.914 . . . . 0.0 111.889 -179.63 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.437 ' O ' ' ND1' ' A' ' 10' ' ' HIS . 0.0 OUTLIER -43.92 161.48 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.831 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.311 0 O-C-N 120.08 -1.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ACE . . . . . 0.606 ' C ' HG23 ' A' ' 2' ' ' VAL . . . . . . . . 0 C--O 1.229 0.013 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.606 HG23 ' C ' ' A' ' 1' ' ' ACE . 2.1 t 72.72 5.03 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-O 122.238 1.018 . . . . 0.0 109.37 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 14.5 mt -102.22 -19.68 14.97 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 113.613 -1.63 . . . . 0.0 109.338 179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 32.7 m -150.04 -14.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 114.878 -1.055 . . . . 0.0 109.774 179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 7' ' ' ILE . 24.8 t-20 -68.79 -49.61 57.14 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.293 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.2 mm-40 -44.3 -15.65 0.02 OUTLIER 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.237 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.512 ' N ' ' O ' ' A' ' 5' ' ' ASN . 80.1 mt -94.37 -77.59 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.664 -179.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.402 ' O ' ' C ' ' A' ' 9' ' ' ASN . 14.8 mt -52.92 -10.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.573 179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' A' ' 7' ' ' ILE . 29.4 t30 -34.02 150.89 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.388 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.501 ' CG ' ' N ' ' A' ' 11' ' ' NH2 . 77.4 t60 -174.13 -106.34 0.0 OUTLIER 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.571 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' NH2 . . . . . 0.501 ' N ' ' CG ' ' A' ' 10' ' ' HIS . . . . . . . . 0 C--N 1.305 -1.334 0 O-C-N 120.178 -1.576 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_