data_2mij_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 2mij _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 core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.81 163.12 50.44 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.657 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.6 pttm -65.0 130.02 41.82 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.32 -19.67 0.1 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.195 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 4' ' ' LYS . 80.1 mm-40 -68.04 -42.83 79.96 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -51.46 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.46 96.53 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.212 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.62 74.25 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.96 -42.85 99.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.122 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -43.04 34.51 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.116 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -42.32 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.2 -39.23 89.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.174 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.45 -11.23 1.79 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.01 77.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.023 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.52 ' HG ' ' N ' ' A' ' 17' ' ' GLY . 5.8 p -106.64 -33.6 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.169 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' HG ' ' A' ' 16' ' ' SER . . . 107.18 39.14 2.01 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.98 52.08 0.83 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 p -81.64 172.85 12.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.32 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 60.7 mt -73.64 -23.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.924 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.46 -33.2 85.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 21' ' ' GLY . 10.8 t 47.63 100.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 0.0 110.75 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.46 104.49 1.2 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.55 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 54.51 47.1 71.25 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.0 1.72 0.11 Allowed Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.609 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.55 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.43 -46.33 90.42 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.224 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.483 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.7 p -70.49 -21.05 22.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.062 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.38 -28.23 64.97 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.808 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 74.5 m -61.68 -51.03 70.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.89 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.566 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.77 -33.12 73.35 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.94 -178.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.566 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 44.7 m-80 -48.85 -32.78 9.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.206 0.527 . . . . 0.0 109.778 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.87 -47.81 84.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.911 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -58.07 -41.84 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.256 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -66.88 -42.82 84.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.582 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.99 -56.65 3.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.065 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.5 m -107.55 105.79 15.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.347 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.842 0.353 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.44 162.55 54.14 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.621 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.1 ptpt -65.43 130.53 43.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.594 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 68.26 -20.32 0.14 Allowed 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.245 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.621 ' H ' ' C ' ' A' ' 4' ' ' LYS . 10.9 mm100 -67.69 -42.16 82.5 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.7 -51.04 37.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.58 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.784 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.14 77.53 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.942 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.74 -42.66 97.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.874 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -40.55 44.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.132 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -44.33 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.594 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.504 ' C ' ' H ' ' A' ' 15' ' ' ALA . 25.7 mt-30 -61.95 -40.4 95.42 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.239 0.542 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -56.58 -6.65 0.32 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.025 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 p -105.23 -21.21 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.034 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.53 46.41 0.57 Allowed Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 147.26 17.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.61 161.86 39.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.866 0.365 . . . . 0.0 111.21 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.47 -40.97 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.27 -21.77 62.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 21' ' ' GLY . 11.1 t 52.73 107.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.708 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.76 103.78 0.51 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.95 68.43 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.41 -1.88 0.36 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.468 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.1 -48.69 80.52 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.337 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.517 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.5 p -72.6 -20.07 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.007 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.45 -28.65 68.47 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.882 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 77.5 m -63.63 -48.73 76.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.425 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.656 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.78 -34.87 77.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.02 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.565 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.0 m-80 -50.44 -33.74 22.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 36' ' ' CYS . 27.8 t80 -58.07 -45.97 86.23 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.94 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.003 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.656 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.2 mt-30 -63.85 -45.2 90.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.021 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -87.66 -50.65 6.36 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -106.39 105.85 16.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.134 0.492 . . . . 0.0 110.063 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.641 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.18 164.15 38.28 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 11.5 ptpt -65.73 130.39 43.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.603 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 68.87 -20.92 0.15 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 86.7 mm-40 -68.32 -43.48 77.5 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.42 -51.39 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.675 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.39 93.32 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.88 76.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.28 -42.1 94.74 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.051 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -43.18 36.08 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.248 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -44.23 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.704 -177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -60.13 -40.05 88.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.601 . . . . 0.0 109.982 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -55.53 -13.12 1.38 Allowed 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.672 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.89 79.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.256 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -106.27 -33.22 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.832 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 34.59 2.8 Favored Glycine 0 N--CA 1.463 0.455 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.98 54.71 0.66 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -81.47 171.19 15.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.43 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.0 mt -74.1 -23.57 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.86 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.19 72.86 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 t 46.42 90.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.674 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.08 103.92 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.39 57.89 9.75 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -59.56 0.78 0.59 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.07 -46.83 89.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.487 0.66 . . . . 0.0 110.152 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.6 p -70.59 -20.55 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -29.27 68.45 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.647 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 75.0 m -61.63 -50.03 74.2 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.243 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.68 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.03 -33.2 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.648 -0.821 . . . . 0.0 111.091 -178.079 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.562 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.9 m-80 -52.71 -32.24 41.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 15.2 t80 -58.14 -47.64 82.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.983 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -41.18 98.77 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.205 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.68 HE22 ' NE2' ' A' ' 30' ' ' GLN . 57.9 mt-30 -63.34 -43.89 96.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.72 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -89.21 -52.97 4.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -107.54 105.78 15.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.995 -1.002 . . . . 0.0 111.044 179.902 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.28 0.562 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.8 166.8 32.0 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.646 ' C ' ' H ' ' A' ' 6' ' ' GLN . 20.1 ptmt -64.64 129.29 39.27 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.08 -20.61 0.11 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.646 ' H ' ' C ' ' A' ' 4' ' ' LYS . 76.8 mm-40 -68.64 -43.46 76.22 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -50.7 44.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.469 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.77 88.87 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.042 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.96 73.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.168 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.01 -45.27 94.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.349 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.52 -43.73 54.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.251 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -42.28 99.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.999 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.483 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.42 -39.71 88.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.388 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -63.48 0.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -67.05 -38.95 86.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.143 0.497 . . . . 0.0 110.403 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -106.67 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.65 45.24 0.16 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.69 138.94 10.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.44 158.9 39.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.705 0.288 . . . . 0.0 110.658 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.8 mt -71.86 -40.78 69.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -63.52 -22.65 66.02 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' GLY . 12.2 t 54.32 110.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.986 0.422 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.0 105.17 0.82 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 48.5 71.52 0.57 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.95 -2.91 0.61 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.08 -48.6 81.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.388 0.613 . . . . 0.0 110.493 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.6 p -71.74 -19.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.7 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.965 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.57 -50.15 73.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.057 0.456 . . . . 0.0 111.23 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.669 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.51 -32.67 72.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.977 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.571 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 43.4 m-80 -53.65 -33.1 54.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.678 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.1 t80 -57.67 -46.81 83.76 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -42.1 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.966 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.669 HE22 ' NE2' ' A' ' 30' ' ' GLN . 52.0 mt-30 -64.34 -42.45 96.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.714 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -89.42 -53.95 4.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.6 m -107.26 106.36 16.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 110.287 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.487 179.561 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.955 0.407 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.35 165.12 32.39 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.64 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.7 pttt -65.32 130.11 42.13 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.82 -19.7 0.11 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.64 ' H ' ' C ' ' A' ' 4' ' ' LYS . 88.1 mm-40 -67.82 -42.82 80.89 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -51.15 32.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.852 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.12 95.23 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.093 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.52 72.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.44 -43.83 98.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.973 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.17 37.13 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 119.844 -0.743 . . . . 0.0 110.291 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.12 -43.63 98.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.225 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.45 -39.13 86.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.1 -9.57 1.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.838 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -66.29 -38.03 86.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.303 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -93.1 -32.78 14.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.779 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.34 41.59 0.46 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.27 -177.0 25.51 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 p -151.34 -155.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.57 6.25 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.805 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 10.34 9.55 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.0 t 38.14 93.01 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.117 0 O-C-N 122.657 -0.319 . . . . 0.0 111.416 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.98 104.51 0.44 Allowed Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 126.9 -74.53 0.43 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.98 -68.37 0.01 OUTLIER Glycine 0 C--O 1.227 -0.338 0 C-N-CA 123.531 0.586 . . . . 0.0 111.927 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -68.21 -49.96 57.31 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.811 0.815 . . . . 0.0 109.503 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.574 ' C ' HD21 ' A' ' 31' ' ' ASN . 6.7 m -73.32 -16.63 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.611 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.38 63.4 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 121.972 -0.455 . . . . 0.0 110.846 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -62.93 -51.42 66.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.209 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.674 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -69.1 -37.87 78.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.665 -178.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.574 HD21 ' C ' ' A' ' 27' ' ' VAL . 48.3 m-80 -50.11 -31.14 12.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.348 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 21.1 t80 -58.3 -47.64 83.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.17 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -39.45 94.29 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.138 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.674 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.1 mt-30 -64.02 -44.45 92.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.524 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -88.84 -52.72 4.96 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -105.74 106.31 16.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.244 179.788 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.78 0.324 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.28 165.14 20.44 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.655 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.5 pttm -65.26 129.92 41.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.94 -19.34 0.1 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.132 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.655 ' H ' ' C ' ' A' ' 4' ' ' LYS . 84.8 mm-40 -68.18 -42.56 79.78 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.76 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.21 97.1 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.098 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.31 75.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.713 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -43.91 29.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.511 178.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.42 -45.16 94.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.635 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.457 ' O ' ' OG ' ' A' ' 16' ' ' SER . 0.9 OUTLIER -64.48 -30.78 71.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.437 0.637 . . . . 0.0 109.851 -179.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -57.5 -24.31 55.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.891 178.774 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.7 -37.44 79.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.88 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 13' ' ' GLN . 97.3 p -67.8 -32.84 73.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.755 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.33 3.99 Favored Glycine 0 N--CA 1.467 0.754 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.67 166.33 37.11 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -148.79 176.36 10.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.931 0.396 . . . . 0.0 110.648 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.13 -25.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.915 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.31 -16.52 4.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.4 t 44.26 94.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.858 0.361 . . . . 0.0 110.663 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.36 -103.14 0.22 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.643 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -124.53 14.29 7.71 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 52.3 -63.24 0.0 OUTLIER Glycine 0 C--N 1.34 0.798 0 O-C-N 124.51 0.771 . . . . 0.0 112.204 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -60.15 -44.68 94.8 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.896 0.855 . . . . 0.0 108.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.533 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 9.6 p -70.02 -23.1 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.294 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.41 -29.59 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.793 -0.567 . . . . 0.0 110.611 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 78.7 m -61.81 -49.36 76.64 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.779 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.644 HE22 HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.47 -34.64 76.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.931 -178.356 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.568 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 m-80 -49.5 -34.61 17.58 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.531 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.3 t80 -59.86 -45.47 92.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.312 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -60.02 -39.34 85.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.48 0.657 . . . . 0.0 109.287 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.644 HE22 HE22 ' A' ' 30' ' ' GLN . 53.3 mt-30 -71.07 -44.13 66.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.332 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.81 -51.09 6.29 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 5.1 m -107.88 105.53 15.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.62 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.864 0.364 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.95 165.32 37.96 Favored Glycine 0 CA--C 1.517 0.195 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.7 130.49 43.46 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.558 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 68.34 -20.02 0.14 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.031 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.631 ' H ' ' C ' ' A' ' 4' ' ' LYS . 85.4 mm-40 -67.98 -42.62 80.56 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -69.29 -51.05 41.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.926 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.57 98.55 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.324 -0.551 . . . . 0.0 111.057 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.75 74.55 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.061 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.97 -42.29 98.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.215 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -43.44 34.04 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.099 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.542 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -60.33 -39.67 87.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.273 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -57.91 -10.73 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.703 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.93 83.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.977 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -106.97 -33.83 7.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.991 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.84 40.87 1.65 Allowed Glycine 0 CA--C 1.521 0.412 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -129.52 54.7 0.78 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -82.48 170.57 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.217 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.6 mt -74.09 -23.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.841 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.62 -34.08 88.97 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t 44.47 90.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 110.682 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.18 105.83 0.84 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 72.12 35.83 60.66 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.85 -5.27 0.88 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -63.96 -48.66 75.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.108 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.577 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 17.0 m -71.49 -20.3 20.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.328 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.56 -32.94 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.569 -0.707 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.574 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 80.5 m -62.56 -51.55 66.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.155 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.12 -35.58 76.55 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.148 -177.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 47.0 m-80 -48.09 -31.13 5.17 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.36 0.6 . . . . 0.0 109.999 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' CYS . 33.3 t80 -59.89 -47.06 87.3 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.397 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' NH1' ' OXT' ' A' ' 37' ' ' ARG . 1.3 tpm_? -59.47 -42.48 92.16 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -65.13 -45.11 86.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.689 -1.142 . . . . 0.0 112.266 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.25 -42.05 14.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.255 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' TYR . 20.4 m -101.53 105.02 15.94 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.218 0.532 . . . . 0.0 109.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' OXT' ' NH1' ' A' ' 33' ' ' ARG . 9.5 mpt_? . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.097 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -149.24 155.65 26.43 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.598 ' C ' ' H ' ' A' ' 6' ' ' GLN . 13.0 ptpt -68.36 132.97 47.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.25 -16.81 0.15 Allowed 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.126 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.598 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.3 tp60 -67.4 -42.66 82.91 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -53.39 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 113.85 -1.523 . . . . 0.0 112.334 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.17 97.26 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.11 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -65.42 -32.99 74.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.138 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -63.76 -38.69 92.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.904 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -45.11 25.46 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.988 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -64.81 -43.45 93.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.847 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.682 ' CB ' ' HG1' ' A' ' 19' ' ' THR . 0.0 OUTLIER -64.8 -33.06 75.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.31 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 17.9 t -59.85 -18.98 48.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.467 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.06 89.69 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.407 0.622 . . . . 0.0 109.46 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 t -107.77 -29.62 9.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.836 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 73.3 51.71 9.6 Favored Glycine 0 CA--C 1.505 -0.574 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.01 -33.4 3.24 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 114.934 0.733 . . . . 0.0 114.934 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.682 ' HG1' ' CB ' ' A' ' 13' ' ' GLN . 46.8 p -86.2 -113.27 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.594 0.711 . . . . 0.0 112.06 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.558 ' N ' ' OG1' ' A' ' 19' ' ' THR . 50.7 mt -72.89 -23.26 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 114.611 -1.177 . . . . 0.0 108.674 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.617 ' H ' ' NE2' ' A' ' 13' ' ' GLN . . . -67.05 -108.88 0.02 OUTLIER Glycine 0 CA--C 1.52 0.384 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.575 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.608 ' SG ' ' N ' ' A' ' 23' ' ' GLY . 40.8 t 49.07 169.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.297 0.57 . . . . 0.0 111.138 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.608 ' N ' ' SG ' ' A' ' 22' ' ' CYS . . . 46.45 77.95 0.09 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 70.6 21.45 77.74 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.551 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -58.35 3.04 0.14 Allowed Glycine 0 C--O 1.224 -0.48 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.584 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -56.9 -46.14 82.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.503 0.668 . . . . 0.0 109.956 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.517 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.0 p -70.13 -21.72 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.57 66.68 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.56 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.8 m -62.96 -48.63 78.04 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.618 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.658 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.35 -33.2 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.964 -178.144 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.566 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.3 m-80 -50.77 -31.13 15.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 15.7 t80 -57.97 -47.58 82.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -39.62 94.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.658 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.6 mt-30 -63.69 -43.79 95.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -87.54 -45.28 10.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -103.52 106.77 17.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.031 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.404 179.607 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.506 0.67 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.74 166.46 36.76 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.657 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.5 pttt -64.46 129.79 41.22 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.85 -20.77 0.09 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.196 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.4 mp0 -68.61 -41.22 79.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -51.06 44.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.933 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.84 76.48 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.166 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.64 -42.62 97.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.95 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -40.47 41.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.174 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -44.87 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.433 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.533 ' C ' ' H ' ' A' ' 15' ' ' ALA . 32.8 mt-30 -60.93 -40.64 94.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.292 0.568 . . . . 0.0 109.74 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -58.0 -3.82 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.958 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.44 -37.1 79.95 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.883 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -104.92 -21.61 13.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.113 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 49.22 0.55 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.27 170.4 23.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -152.46 -172.59 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -72.72 -42.47 62.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.657 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -92.02 -5.4 66.07 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.853 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 21' ' ' GLY . 12.5 t 53.15 113.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 159.21 101.61 0.17 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 52.92 56.43 18.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.92 -2.55 0.54 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.71 -48.75 80.38 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.494 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 8.0 p -73.66 -20.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -27.98 67.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 72.3 m -61.85 -50.52 71.93 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.23 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.683 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.76 -34.75 77.43 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.204 -177.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.564 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.6 m-80 -51.27 -33.91 30.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.735 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.7 t80 -58.14 -47.32 83.67 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.115 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.709 0.766 . . . . 0.0 109.539 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.683 HE22 ' NE2' ' A' ' 30' ' ' GLN . 56.0 mt-30 -63.42 -43.84 96.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.717 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -89.18 -53.05 4.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.543 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.74 106.03 15.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.121 0.486 . . . . 0.0 109.818 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.501 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.177 0.513 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.54 149.29 21.13 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.185 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.614 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.9 pttt -66.41 131.8 46.88 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.31 -18.51 0.13 Allowed 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.614 ' H ' ' C ' ' A' ' 4' ' ' LYS . 4.3 tp-100 -67.6 -42.32 82.64 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -51.32 36.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.157 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.3 80.46 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.043 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.22 -33.54 75.72 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.41 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 42.6 tp -62.8 -43.06 99.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.076 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -43.21 33.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.825 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.48 -43.96 97.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.292 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.475 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.45 -38.93 85.71 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.263 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -62.45 -1.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -65.95 -38.01 87.49 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -103.67 -29.0 11.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.95 48.69 0.18 Allowed Glycine 0 N--CA 1.463 0.493 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.32 157.88 27.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.447 ' OG1' ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -155.52 148.13 24.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.487 ' CD1' HE22 ' A' ' 6' ' ' GLN . 75.1 mt -72.87 -36.85 53.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -67.31 -14.53 64.33 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.406 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLY . 13.0 t 51.59 106.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.39 100.42 0.16 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 42.84 71.57 0.39 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -44.65 -19.14 0.14 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -64.96 -49.89 68.56 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.732 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.568 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 20.7 m -72.07 -19.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.226 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.61 -32.54 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.783 -0.573 . . . . 0.0 111.044 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 84.8 m -63.45 -51.95 63.5 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.316 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.34 -34.88 75.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.195 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 45.1 m-80 -48.85 -31.73 7.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.194 0.521 . . . . 0.0 110.189 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.5 t80 -59.82 -47.68 84.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.746 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -59.33 -40.82 87.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.034 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.61 -42.47 86.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.8 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -88.54 -55.8 3.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.581 -0.448 . . . . 0.0 109.969 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.4 m -106.48 106.02 16.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.956 0.407 . . . . 0.0 110.082 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.358 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.924 0.392 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.65 165.5 20.18 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.651 ' C ' ' H ' ' A' ' 6' ' ' GLN . 18.1 pttp -65.81 130.61 43.87 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 67.65 -22.11 0.12 Allowed 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.651 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.8 mm-40 -68.1 -44.24 76.64 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.67 -51.78 31.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.773 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.82 92.74 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.119 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 5' ' ' ALA . . . -64.08 -32.19 73.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.312 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.02 -42.95 99.44 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.188 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -44.94 50.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.05 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.487 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -60.57 -31.94 71.04 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.17 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -61.71 -16.07 45.91 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.504 179.488 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.91 69.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 t -111.48 -34.88 5.97 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.487 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . -138.03 -81.85 0.1 OUTLIER Glycine 0 CA--C 1.532 1.152 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.914 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 139.17 -82.62 0.25 Allowed Glycine 0 N--CA 1.475 1.274 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.686 ' C ' ' H ' ' A' ' 21' ' ' GLY . 3.1 p -86.11 24.94 1.23 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.5 mt 62.85 -22.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 C-N-CA 122.725 0.41 . . . . 0.0 110.368 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.686 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -93.36 2.48 71.04 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLY . 12.3 t 45.89 101.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 111.193 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.16 96.15 0.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 69.81 16.94 72.79 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.38 3.03 0.61 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.76 -46.54 90.07 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.527 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 9.6 p -71.0 -20.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.03 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 76.2 m -60.81 -51.1 70.77 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.002 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.645 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.89 -33.54 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.102 -177.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.551 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 53.2 m-80 -52.19 -32.98 38.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.132 0.491 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.0 t80 -57.86 -45.64 85.98 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.602 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.8 -42.19 97.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.651 0.738 . . . . 0.0 110.025 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.645 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.3 mt-30 -63.37 -42.06 98.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.694 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.74 -52.8 4.7 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.2 m -105.91 105.95 16.22 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.028 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.766 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.849 0.357 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.13 165.17 28.94 Favored Glycine 0 C--N 1.329 0.169 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.658 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.8 pttm -64.97 129.88 41.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.87 -20.46 0.13 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.02 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.658 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.6 mm-40 -68.85 -43.63 75.04 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -49.96 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.913 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -46.78 88.76 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.906 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -63.55 -31.28 72.39 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.096 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -43.4 47.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.171 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.96 -42.73 99.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.39 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -60.65 -38.17 83.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.077 -179.532 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -47.05 -37.5 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.356 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.963 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -68.81 -34.37 75.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.099 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.77 -39.42 0.15 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.96 -109.0 0.24 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.565 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -147.91 -161.08 1.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.33 -41.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 0.0 110.164 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -65.04 -29.73 76.13 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 21' ' ' GLY . 13.3 t 56.26 120.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.432 . . . . 0.0 110.812 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.99 103.52 0.55 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 55.8 34.45 61.16 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -60.07 1.73 0.55 Allowed Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.551 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -58.5 -46.82 85.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.2 0.524 . . . . 0.0 110.212 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 12.2 p -70.26 -18.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.173 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -29.42 65.59 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.231 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.5 m -60.56 -50.53 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.312 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.662 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.19 -33.59 74.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.82 -178.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.556 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 43.2 m-80 -52.84 -32.81 46.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.563 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 36' ' ' CYS . 18.3 t80 -57.18 -46.5 82.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.283 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.88 97.14 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.845 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.662 HE22 ' NE2' ' A' ' 30' ' ' GLN . 50.8 mt-30 -64.83 -41.65 95.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -89.26 -56.19 3.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -105.7 106.6 17.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.181 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.126 179.743 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.997 0.427 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.02 164.96 11.2 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.674 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.12 131.45 46.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.5 -20.72 0.12 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.57 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.674 ' H ' ' C ' ' A' ' 4' ' ' LYS . 20.9 tm0? -66.99 -43.0 84.11 Favored 'General case' 0 N--CA 1.426 -1.635 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -70.83 -51.38 26.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.295 -1.32 . . . . 0.0 111.198 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.41 90.09 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.784 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.89 73.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.072 0.463 . . . . 0.0 110.088 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.91 -43.21 96.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.264 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -39.41 33.84 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.3 -43.44 98.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -39.31 93.38 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.804 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -60.81 -7.84 2.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.094 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.48 86.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.9 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -100.58 -24.46 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.2 45.64 0.62 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.38 170.5 23.28 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 21' ' ' GLY . 1.8 p -150.85 170.99 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.71 -24.54 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . 0.45 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . -159.84 161.16 32.14 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 21' ' ' GLY . 61.6 m 57.35 157.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.363 -0.419 . . . . 0.0 110.036 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.7 -100.35 0.06 OUTLIER Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.586 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 60.81 -69.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 53.49 -68.66 0.0 OUTLIER Glycine 0 CA--C 1.507 -0.455 0 C-N-CA 124.049 0.833 . . . . 0.0 112.133 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -62.25 -48.54 79.49 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.806 0.812 . . . . 0.0 109.974 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.516 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 14.8 p -73.55 -19.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.377 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.46 -30.81 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.686 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 90.1 m -62.71 -48.77 77.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.202 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.547 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.46 -34.67 76.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.262 -177.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.547 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.1 m-80 -47.96 -31.22 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.126 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.42 -47.9 83.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.656 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -61.99 -41.44 98.03 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.504 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.403 ' OE1' ' NH2' ' A' ' 33' ' ' ARG . 8.0 mm-40 -62.89 -47.66 82.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.935 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -87.01 -49.6 7.22 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.853 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.9 m -103.81 106.17 16.6 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.571 -179.62 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.58 165.8 27.51 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.9 pttm -65.74 129.92 41.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.88 -19.72 0.11 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.234 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.633 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.8 mm100 -68.51 -42.07 79.06 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -51.06 43.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.473 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.87 95.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.032 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.81 76.51 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.46 -42.34 95.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.086 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -41.56 42.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.064 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -44.35 97.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.652 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.524 ' C ' ' H ' ' A' ' 15' ' ' ALA . 24.3 mt-30 -61.59 -39.59 91.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.209 0.528 . . . . 0.0 109.767 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.65 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.86 -5.03 0.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.884 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -69.49 -37.34 77.19 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.999 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 p -106.4 -11.41 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.068 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 19.63 7.69 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.49 152.7 20.71 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.91 154.93 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.931 0.396 . . . . 0.0 111.1 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.8 mt -71.19 -40.72 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.84 -6.25 43.22 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.2 t 42.43 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.044 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.17 101.4 0.18 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.87 68.87 1.29 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.28 -2.05 0.57 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.98 -48.58 81.18 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.37 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.507 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.1 p -72.71 -20.17 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.55 68.05 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . 0.65 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.1 m -62.65 -49.84 73.57 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.16 -178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.678 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.88 -32.8 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.235 -178.012 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.563 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 49.3 m-80 -52.81 -33.0 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.542 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 t80 -58.11 -47.57 82.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.997 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.77 98.29 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.239 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . 0.678 HE22 ' NE2' ' A' ' 30' ' ' GLN . 57.6 mt-30 -63.11 -44.1 96.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.857 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -89.31 -53.04 4.74 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.098 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.75 106.0 15.83 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.006 0.432 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.934 -1.031 . . . . 0.0 111.145 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.236 0.541 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.8 169.7 35.84 Favored Glycine 0 C--N 1.323 -0.148 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.643 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.3 pttm -65.19 129.85 41.21 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.84 -20.28 0.13 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.205 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.643 ' H ' ' C ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -68.66 -44.19 74.63 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.11 -50.88 44.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.785 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.82 80.2 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.108 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.91 74.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.42 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.4 tp -63.2 -44.82 94.28 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.004 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -42.74 42.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.033 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.971 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -60.1 -38.63 83.51 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.063 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t -56.12 -11.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -69.41 -38.66 78.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -105.35 -31.82 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.22 38.53 2.28 Favored Glycine 0 N--CA 1.463 0.486 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -129.49 56.86 0.73 Allowed Glycine 0 N--CA 1.465 0.588 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -81.7 174.27 11.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.924 0.392 . . . . 0.0 110.251 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.9 mt -73.83 -24.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.65 -31.55 81.27 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.2 t 47.24 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 0.0 110.589 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.65 105.46 1.08 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 60.35 37.82 93.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.17 -4.32 0.47 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -62.72 -46.76 86.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.464 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 5.2 m -67.68 -21.64 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.733 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.29 -29.69 48.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.6 m -58.86 -49.85 76.22 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.964 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 111.404 -178.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 42.7 m-80 -60.01 -31.61 70.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.373 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 12.5 t80 -58.89 -42.5 89.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.477 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -41.58 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.108 -0.637 . . . . 0.0 109.539 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.69 -39.71 80.39 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.65 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -90.01 -55.72 3.51 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.065 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 6.3 m -103.8 106.47 16.99 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.021 0.439 . . . . 0.0 110.092 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.054 179.633 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt 56.68 3.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 110.175 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -68.81 163.12 50.44 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.657 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.6 pttm -65.0 130.02 41.82 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.32 -19.67 0.1 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.195 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 4' ' ' LYS . 80.1 mm-40 -68.04 -42.83 79.96 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -51.46 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.46 96.53 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.212 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.62 74.25 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.96 -42.85 99.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.122 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -43.04 34.51 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.116 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.09 -42.32 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 -178.291 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.2 -39.23 89.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.174 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.45 -11.23 1.79 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.36 -38.01 77.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.023 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.52 ' HG ' ' N ' ' A' ' 17' ' ' GLY . 5.8 p -106.64 -33.6 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.169 -179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.52 ' N ' ' HG ' ' A' ' 16' ' ' SER . . . 107.18 39.14 2.01 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 -179.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.98 52.08 0.83 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 p -81.64 172.85 12.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.32 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 60.7 mt -73.64 -23.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.924 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.46 -33.2 85.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.455 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 10.8 t 47.63 100.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 0.0 110.75 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.46 104.49 1.2 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.55 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 54.51 47.1 71.25 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.0 1.72 0.11 Allowed Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.609 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.55 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.43 -46.33 90.42 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.224 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.483 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.7 p -70.49 -21.05 22.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.062 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.38 -28.23 64.97 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.808 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 74.5 m -61.68 -51.03 70.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.89 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.566 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.77 -33.12 73.35 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.94 -178.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.566 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 44.7 m-80 -48.85 -32.78 9.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.206 0.527 . . . . 0.0 109.778 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.87 -47.81 84.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.911 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -58.07 -41.84 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.256 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -66.88 -42.82 84.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.582 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.99 -56.65 3.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.065 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.5 m -107.55 105.79 15.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.347 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.455 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.577 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.9 mt 58.31 0.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.842 0.353 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -74.44 162.55 54.14 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.621 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.1 ptpt -65.43 130.53 43.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.594 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 68.26 -20.32 0.14 Allowed 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.245 179.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.621 ' H ' ' C ' ' A' ' 4' ' ' LYS . 10.9 mm100 -67.69 -42.16 82.5 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.7 -51.04 37.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.58 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.784 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.14 77.53 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.942 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.74 -42.66 97.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.874 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -40.55 44.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.132 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.67 -44.33 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.594 -178.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.504 ' C ' ' H ' ' A' ' 15' ' ' ALA . 25.7 mt-30 -61.95 -40.4 95.42 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.239 0.542 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -56.58 -6.65 0.32 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.504 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.025 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 p -105.23 -21.21 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.034 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.53 46.41 0.57 Allowed Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 147.26 17.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.61 161.86 39.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.866 0.365 . . . . 0.0 111.21 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.47 -40.97 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.27 -21.77 62.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.452 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 11.1 t 52.73 107.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.708 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.76 103.78 0.51 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.505 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.95 68.43 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.41 -1.88 0.36 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.468 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.505 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.1 -48.69 80.52 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.337 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.517 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.5 p -72.6 -20.07 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.007 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.45 -28.65 68.47 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.882 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 77.5 m -63.63 -48.73 76.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.425 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.656 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.78 -34.87 77.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.02 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.565 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.0 m-80 -50.44 -33.74 22.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.535 ' O ' ' N ' ' A' ' 36' ' ' CYS . 27.8 t80 -58.07 -45.97 86.23 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.94 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.003 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.656 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.2 mt-30 -63.85 -45.2 90.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.021 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -87.66 -50.65 6.36 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.535 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -106.39 105.85 16.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.134 0.492 . . . . 0.0 110.063 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.641 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.452 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt 57.95 0.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -85.18 164.15 38.28 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 11.5 ptpt -65.73 130.39 43.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.603 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 68.87 -20.92 0.15 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 86.7 mm-40 -68.32 -43.48 77.5 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.42 -51.39 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.675 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.39 93.32 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.88 76.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.28 -42.1 94.74 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.051 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -43.18 36.08 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.248 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.93 -44.23 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.704 -177.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -60.13 -40.05 88.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.601 . . . . 0.0 109.982 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -55.53 -13.12 1.38 Allowed 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.672 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.72 -37.89 79.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.256 179.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -106.27 -33.22 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.832 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 34.59 2.8 Favored Glycine 0 N--CA 1.463 0.455 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.98 54.71 0.66 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -81.47 171.19 15.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.43 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.0 mt -74.1 -23.57 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.86 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.19 72.86 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.447 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.6 t 46.42 90.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.674 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.08 103.92 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.39 57.89 9.75 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -59.56 0.78 0.59 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.522 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.07 -46.83 89.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.487 0.66 . . . . 0.0 110.152 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.6 p -70.59 -20.55 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -29.27 68.45 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.647 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 75.0 m -61.63 -50.03 74.2 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.243 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.68 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.03 -33.2 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.648 -0.821 . . . . 0.0 111.091 -178.079 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.562 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.9 m-80 -52.71 -32.24 41.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 15.2 t80 -58.14 -47.64 82.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.983 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -41.18 98.77 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.205 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.68 HE22 ' NE2' ' A' ' 30' ' ' GLN . 57.9 mt-30 -63.34 -43.89 96.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.72 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -89.21 -52.97 4.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -107.54 105.78 15.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.995 -1.002 . . . . 0.0 111.044 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.447 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 1' ' ' GLY . 4.5 mt 49.37 102.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.28 0.562 . . . . 0.0 110.411 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.8 166.8 32.0 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.646 ' C ' ' H ' ' A' ' 6' ' ' GLN . 20.1 ptmt -64.64 129.29 39.27 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.08 -20.61 0.11 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 179.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.646 ' H ' ' C ' ' A' ' 4' ' ' LYS . 76.8 mm-40 -68.64 -43.46 76.22 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -50.7 44.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.469 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.77 88.87 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.042 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.96 73.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.168 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.01 -45.27 94.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.349 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.52 -43.73 54.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.251 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -42.28 99.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.999 -178.142 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.483 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.42 -39.71 88.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.388 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -63.48 0.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.483 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -67.05 -38.95 86.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.143 0.497 . . . . 0.0 110.403 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -106.67 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.65 45.24 0.16 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.69 138.94 10.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.44 158.9 39.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.705 0.288 . . . . 0.0 110.658 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.8 mt -71.86 -40.78 69.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -63.52 -22.65 66.02 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.449 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.2 t 54.32 110.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.986 0.422 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.0 105.17 0.82 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.507 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 48.5 71.52 0.57 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.95 -2.91 0.61 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.507 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.08 -48.6 81.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.388 0.613 . . . . 0.0 110.493 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.6 p -71.74 -19.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.7 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.965 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.57 -50.15 73.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.057 0.456 . . . . 0.0 111.23 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.669 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.51 -32.67 72.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.977 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.571 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 43.4 m-80 -53.65 -33.1 54.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.678 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.1 t80 -57.67 -46.81 83.76 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.92 -42.1 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.966 -178.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.669 HE22 ' NE2' ' A' ' 30' ' ' GLN . 52.0 mt-30 -64.34 -42.45 96.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.714 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -89.42 -53.95 4.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.6 m -107.26 106.36 16.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 110.287 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.487 179.561 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.449 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.576 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.9 mt 58.06 1.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 0.0 110.212 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.576 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -89.35 165.12 32.39 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.64 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.7 pttt -65.32 130.11 42.13 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.82 -19.7 0.11 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.64 ' H ' ' C ' ' A' ' 4' ' ' LYS . 88.1 mm-40 -67.82 -42.82 80.89 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -51.15 32.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.852 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.12 95.23 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.093 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.52 72.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.44 -43.83 98.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.973 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.17 37.13 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 119.844 -0.743 . . . . 0.0 110.291 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.1 tt -62.12 -43.63 98.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.225 -178.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.45 -39.13 86.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.1 -9.57 1.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.838 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -66.29 -38.03 86.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.303 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -93.1 -32.78 14.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.779 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.34 41.59 0.46 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.27 -177.0 25.51 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 p -151.34 -155.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.57 6.25 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.805 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 10.34 9.55 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.418 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 31.0 t 38.14 93.01 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.117 0 O-C-N 122.657 -0.319 . . . . 0.0 111.416 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.98 104.51 0.44 Allowed Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 126.9 -74.53 0.43 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 54.98 -68.37 0.01 OUTLIER Glycine 0 C--O 1.227 -0.338 0 C-N-CA 123.531 0.586 . . . . 0.0 111.927 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -68.21 -49.96 57.31 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.811 0.815 . . . . 0.0 109.503 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.574 ' C ' HD21 ' A' ' 31' ' ' ASN . 6.7 m -73.32 -16.63 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.611 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.21 -36.38 63.4 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 121.972 -0.455 . . . . 0.0 110.846 -179.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -62.93 -51.42 66.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.209 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.674 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -69.1 -37.87 78.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.665 -178.388 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.574 HD21 ' C ' ' A' ' 27' ' ' VAL . 48.3 m-80 -50.11 -31.14 12.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.348 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 21.1 t80 -58.3 -47.64 83.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.17 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -39.45 94.29 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.138 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.674 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.1 mt-30 -64.02 -44.45 92.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.524 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -88.84 -52.72 4.96 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -105.74 106.31 16.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.244 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.418 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.0 mt 57.73 0.38 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.78 0.324 . . . . 0.0 110.461 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -99.28 165.14 20.44 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.655 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.5 pttm -65.26 129.92 41.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.94 -19.34 0.1 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.132 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.655 ' H ' ' C ' ' A' ' 4' ' ' LYS . 84.8 mm-40 -68.18 -42.56 79.78 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.76 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.21 97.1 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.098 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.31 75.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.713 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -43.91 29.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.511 178.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.2 tp -62.42 -45.16 94.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.635 -178.383 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.457 ' O ' ' OG ' ' A' ' 16' ' ' SER . 0.9 OUTLIER -64.48 -30.78 71.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.437 0.637 . . . . 0.0 109.851 -179.458 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -57.5 -24.31 55.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.891 178.774 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -68.7 -37.44 79.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.88 179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' A' ' 13' ' ' GLN . 97.3 p -67.8 -32.84 73.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.755 -179.83 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.33 3.99 Favored Glycine 0 N--CA 1.467 0.754 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.67 166.33 37.11 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -148.79 176.36 10.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.931 0.396 . . . . 0.0 110.648 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.13 -25.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.915 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.31 -16.52 4.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.455 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.4 t 44.26 94.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.858 0.361 . . . . 0.0 110.663 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.36 -103.14 0.22 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.643 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -124.53 14.29 7.71 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 52.3 -63.24 0.0 OUTLIER Glycine 0 C--N 1.34 0.798 0 O-C-N 124.51 0.771 . . . . 0.0 112.204 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -60.15 -44.68 94.8 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.896 0.855 . . . . 0.0 108.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.533 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 9.6 p -70.02 -23.1 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.294 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.41 -29.59 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.793 -0.567 . . . . 0.0 110.611 -179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 78.7 m -61.81 -49.36 76.64 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.779 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.644 HE22 HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.47 -34.64 76.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.931 -178.356 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.568 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 m-80 -49.5 -34.61 17.58 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.531 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.3 t80 -59.86 -45.47 92.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.312 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -60.02 -39.34 85.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.48 0.657 . . . . 0.0 109.287 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.644 HE22 HE22 ' A' ' 30' ' ' GLN . 53.3 mt-30 -71.07 -44.13 66.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.332 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.81 -51.09 6.29 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 5.1 m -107.88 105.53 15.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.62 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.455 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.578 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt 58.24 1.1 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 0.0 110.152 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.578 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -85.95 165.32 37.96 Favored Glycine 0 CA--C 1.517 0.195 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.631 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.7 130.49 43.46 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.558 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 68.34 -20.02 0.14 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.031 179.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.631 ' H ' ' C ' ' A' ' 4' ' ' LYS . 85.4 mm-40 -67.98 -42.62 80.56 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -69.29 -51.05 41.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.926 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.57 98.55 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.324 -0.551 . . . . 0.0 111.057 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.75 74.55 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.061 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.97 -42.29 98.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.215 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -43.44 34.04 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.099 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.91 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.542 -178.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -60.33 -39.67 87.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.273 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -57.91 -10.73 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.703 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -67.6 -37.93 83.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.977 179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -106.97 -33.83 7.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.991 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.84 40.87 1.65 Allowed Glycine 0 CA--C 1.521 0.412 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -129.52 54.7 0.78 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -82.48 170.57 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.217 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.6 mt -74.09 -23.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.841 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.62 -34.08 88.97 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.448 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.6 t 44.47 90.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.18 105.83 0.84 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.464 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 72.12 35.83 60.66 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.85 -5.27 0.88 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -63.96 -48.66 75.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.108 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.577 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 17.0 m -71.49 -20.3 20.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.328 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.56 -32.94 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.569 -0.707 . . . . 0.0 110.952 -179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.574 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 80.5 m -62.56 -51.55 66.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.155 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.12 -35.58 76.55 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.148 -177.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 47.0 m-80 -48.09 -31.13 5.17 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.36 0.6 . . . . 0.0 109.999 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' CYS . 33.3 t80 -59.89 -47.06 87.3 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.397 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' NH1' ' OXT' ' A' ' 37' ' ' ARG . 1.3 tpm_? -59.47 -42.48 92.16 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 5.3 mm-40 -65.13 -45.11 86.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.689 -1.142 . . . . 0.0 112.266 -178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.25 -42.05 14.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.255 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' TYR . 20.4 m -101.53 105.02 15.94 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.218 0.532 . . . . 0.0 109.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' OXT' ' NH1' ' A' ' 33' ' ' ARG . 9.5 mpt_? . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.097 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.448 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.586 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt 59.42 4.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.525 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -149.24 155.65 26.43 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.598 ' C ' ' H ' ' A' ' 6' ' ' GLN . 13.0 ptpt -68.36 132.97 47.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.25 -16.81 0.15 Allowed 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.126 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.598 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.3 tp60 -67.4 -42.66 82.91 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.586 ' SG ' ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -71.44 -53.39 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 113.85 -1.523 . . . . 0.0 112.334 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.17 97.26 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.11 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -65.42 -32.99 74.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.138 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -63.76 -38.69 92.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.904 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -45.11 25.46 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.988 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -64.81 -43.45 93.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.847 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.682 ' CB ' ' HG1' ' A' ' 19' ' ' THR . 0.0 OUTLIER -64.8 -33.06 75.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.31 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 17.9 t -59.85 -18.98 48.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.467 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.06 89.69 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.407 0.622 . . . . 0.0 109.46 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 t -107.77 -29.62 9.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.836 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 73.3 51.71 9.6 Favored Glycine 0 CA--C 1.505 -0.574 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.01 -33.4 3.24 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 114.934 0.733 . . . . 0.0 114.934 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.682 ' HG1' ' CB ' ' A' ' 13' ' ' GLN . 46.8 p -86.2 -113.27 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.594 0.711 . . . . 0.0 112.06 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.558 ' N ' ' OG1' ' A' ' 19' ' ' THR . 50.7 mt -72.89 -23.26 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 114.611 -1.177 . . . . 0.0 108.674 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.617 ' H ' ' NE2' ' A' ' 13' ' ' GLN . . . -67.05 -108.88 0.02 OUTLIER Glycine 0 CA--C 1.52 0.384 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.575 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.436 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 40.8 t 49.07 169.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.297 0.57 . . . . 0.0 111.138 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 1.123 ' N ' ' H1 ' ' A' ' 101' ' ' BGC . . . 46.45 77.95 0.09 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 70.6 21.45 77.74 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.551 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -58.35 3.04 0.14 Allowed Glycine 0 C--O 1.224 -0.48 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.584 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -56.9 -46.14 82.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.503 0.668 . . . . 0.0 109.956 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.517 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.0 p -70.13 -21.72 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.66 -29.57 66.68 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.56 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.8 m -62.96 -48.63 78.04 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.618 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.658 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.35 -33.2 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.964 -178.144 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.566 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.3 m-80 -50.77 -31.13 15.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 15.7 t80 -57.97 -47.58 82.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -39.62 94.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.658 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.6 mt-30 -63.69 -43.79 95.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -87.54 -45.28 10.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' N ' ' O ' ' A' ' 32' ' ' TYR . 0.9 OUTLIER -103.52 106.77 17.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.031 179.8 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.404 179.607 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.436 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp 43.31 68.23 0.54 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.506 0.67 . . . . 0.0 110.362 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.74 166.46 36.76 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.657 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.5 pttt -64.46 129.79 41.22 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 65.85 -20.77 0.09 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.196 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.657 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.4 mp0 -68.61 -41.22 79.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -51.06 44.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.933 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.84 76.48 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.166 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.64 -42.62 97.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.95 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -40.47 41.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.174 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.49 -44.87 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.433 -177.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.533 ' C ' ' H ' ' A' ' 15' ' ' ALA . 32.8 mt-30 -60.93 -40.64 94.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.292 0.568 . . . . 0.0 109.74 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -58.0 -3.82 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.958 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.533 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.44 -37.1 79.95 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.883 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -104.92 -21.61 13.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.113 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 49.22 0.55 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.27 170.4 23.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -152.46 -172.59 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -72.72 -42.47 62.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.657 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -92.02 -5.4 66.07 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.853 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.415 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.5 t 53.15 113.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 159.21 101.61 0.17 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 52.92 56.43 18.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.92 -2.55 0.54 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.71 -48.75 80.38 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.494 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 8.0 p -73.66 -20.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -27.98 67.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 72.3 m -61.85 -50.52 71.93 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.23 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.683 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.76 -34.75 77.43 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.204 -177.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.564 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.6 m-80 -51.27 -33.91 30.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.735 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.543 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.7 t80 -58.14 -47.32 83.67 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.115 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.709 0.766 . . . . 0.0 109.539 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.683 HE22 ' NE2' ' A' ' 30' ' ' GLN . 56.0 mt-30 -63.42 -43.84 96.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.717 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -89.18 -53.05 4.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.543 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.74 106.03 15.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.121 0.486 . . . . 0.0 109.818 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.501 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.415 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.5 ' C ' ' N ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mp 44.75 18.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.177 0.513 . . . . 0.0 110.135 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.5 ' N ' ' C ' ' A' ' 1' ' ' GLY . . . -150.54 149.29 21.13 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.614 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.9 pttt -66.41 131.8 46.88 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.31 -18.51 0.13 Allowed 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.614 ' H ' ' C ' ' A' ' 4' ' ' LYS . 4.3 tp-100 -67.6 -42.32 82.64 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -51.32 36.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.157 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.3 80.46 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.043 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.22 -33.54 75.72 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.41 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 42.6 tp -62.8 -43.06 99.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.076 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -43.21 33.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.825 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.2 tt -61.48 -43.96 97.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.292 -178.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.475 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.45 -38.93 85.71 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.263 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -62.45 -1.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.702 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.475 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -65.95 -38.01 87.49 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -103.67 -29.0 11.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.95 48.69 0.18 Allowed Glycine 0 N--CA 1.463 0.493 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.32 157.88 27.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.447 ' OG1' ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -155.52 148.13 24.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.487 ' CD1' HE22 ' A' ' 6' ' ' GLN . 75.1 mt -72.87 -36.85 53.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -67.31 -14.53 64.33 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.406 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.455 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.0 t 51.59 106.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.39 100.42 0.16 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.453 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 42.84 71.57 0.39 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -44.65 -19.14 0.14 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -64.96 -49.89 68.56 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.732 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.568 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 20.7 m -72.07 -19.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.226 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.61 -32.54 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.783 -0.573 . . . . 0.0 111.044 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 84.8 m -63.45 -51.95 63.5 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.316 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.34 -34.88 75.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.195 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 45.1 m-80 -48.85 -31.73 7.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.194 0.521 . . . . 0.0 110.189 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.5 t80 -59.82 -47.68 84.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.746 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -59.33 -40.82 87.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.034 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.61 -42.47 86.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.8 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -88.54 -55.8 3.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.581 -0.448 . . . . 0.0 109.969 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.4 m -106.48 106.02 16.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.956 0.407 . . . . 0.0 110.082 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.358 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.455 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.587 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.6 mt 57.88 0.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.031 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.587 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -99.65 165.5 20.18 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.651 ' C ' ' H ' ' A' ' 6' ' ' GLN . 18.1 pttp -65.81 130.61 43.87 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' O ' ' CB ' ' A' ' 9' ' ' ALA . . . 67.65 -22.11 0.12 Allowed 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.651 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.8 mm-40 -68.1 -44.24 76.64 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.67 -51.78 31.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.773 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.82 92.74 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.119 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 5' ' ' ALA . . . -64.08 -32.19 73.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.312 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.02 -42.95 99.44 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.188 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -44.94 50.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.05 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.487 -178.45 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.593 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -60.57 -31.94 71.04 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.17 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -61.71 -16.07 45.91 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.504 179.488 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.2 -41.91 69.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 t -111.48 -34.88 5.97 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.487 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.593 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . -138.03 -81.85 0.1 OUTLIER Glycine 0 CA--C 1.532 1.152 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.914 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.433 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 139.17 -82.62 0.25 Allowed Glycine 0 N--CA 1.475 1.274 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.686 ' C ' ' H ' ' A' ' 21' ' ' GLY . 3.1 p -86.11 24.94 1.23 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.5 mt 62.85 -22.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 C-N-CA 122.725 0.41 . . . . 0.0 110.368 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.686 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -93.36 2.48 71.04 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.423 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.3 t 45.89 101.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 111.193 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.16 96.15 0.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.529 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 69.81 16.94 72.79 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.38 3.03 0.61 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.529 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.76 -46.54 90.07 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.527 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 9.6 p -71.0 -20.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.03 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 76.2 m -60.81 -51.1 70.77 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.002 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.645 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.89 -33.54 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.102 -177.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.551 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 53.2 m-80 -52.19 -32.98 38.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.132 0.491 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.0 t80 -57.86 -45.64 85.98 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.602 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.8 -42.19 97.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.651 0.738 . . . . 0.0 110.025 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.645 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.3 mt-30 -63.37 -42.06 98.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.694 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.74 -52.8 4.7 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.2 m -105.91 105.95 16.22 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.028 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.766 179.829 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.423 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.57 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.5 mt 58.33 -0.09 0.12 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 110.466 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -92.13 165.17 28.94 Favored Glycine 0 C--N 1.329 0.169 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.658 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.8 pttm -64.97 129.88 41.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.87 -20.46 0.13 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.02 179.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.658 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.6 mm-40 -68.85 -43.63 75.04 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -49.96 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.913 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -46.78 88.76 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.906 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -63.55 -31.28 72.39 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.096 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -43.4 47.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.171 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.96 -42.73 99.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.39 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -60.65 -38.17 83.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.077 -179.532 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -47.05 -37.5 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.356 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.963 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -68.81 -34.37 75.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.099 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.77 -39.42 0.15 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.96 -109.0 0.24 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.565 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -147.91 -161.08 1.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.33 -41.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 0.0 110.164 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -65.04 -29.73 76.13 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.411 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.3 t 56.26 120.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.432 . . . . 0.0 110.812 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.99 103.52 0.55 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.551 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 55.8 34.45 61.16 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.44 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -60.07 1.73 0.55 Allowed Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.551 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -58.5 -46.82 85.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.2 0.524 . . . . 0.0 110.212 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.486 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 12.2 p -70.26 -18.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.173 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.17 -29.42 65.59 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.231 -179.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.5 m -60.56 -50.53 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.312 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.662 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.19 -33.59 74.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.82 -178.002 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.556 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 43.2 m-80 -52.84 -32.81 46.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.563 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 36' ' ' CYS . 18.3 t80 -57.18 -46.5 82.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.283 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.88 97.14 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.845 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.662 HE22 ' NE2' ' A' ' 30' ' ' GLN . 50.8 mt-30 -64.83 -41.65 95.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -89.26 -56.19 3.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -105.7 106.6 17.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.181 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.126 179.743 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.411 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 1' ' ' GLY . 8.1 mt 55.59 158.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.997 0.427 . . . . 0.0 110.495 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.02 164.96 11.2 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.674 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.12 131.45 46.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.5 -20.72 0.12 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.57 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.674 ' H ' ' C ' ' A' ' 4' ' ' LYS . 20.9 tm0? -66.99 -43.0 84.11 Favored 'General case' 0 N--CA 1.426 -1.635 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -70.83 -51.38 26.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.295 -1.32 . . . . 0.0 111.198 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.41 90.09 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.784 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.89 73.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.072 0.463 . . . . 0.0 110.088 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.91 -43.21 96.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.264 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -39.41 33.84 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.3 -43.44 98.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -39.31 93.38 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.804 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -60.81 -7.84 2.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.094 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.48 86.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.9 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -100.58 -24.46 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.2 45.64 0.62 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.38 170.5 23.28 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' A' ' 21' ' ' GLY . 1.8 p -150.85 170.99 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.71 -24.54 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.45 ' O ' ' OG1' ' A' ' 19' ' ' THR . . . -159.84 161.16 32.14 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 21' ' ' GLY . 61.6 m 57.35 157.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.363 -0.419 . . . . 0.0 110.036 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.7 -100.35 0.06 OUTLIER Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.586 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 60.81 -69.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 53.49 -68.66 0.0 OUTLIER Glycine 0 CA--C 1.507 -0.455 0 C-N-CA 124.049 0.833 . . . . 0.0 112.133 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -62.25 -48.54 79.49 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.806 0.812 . . . . 0.0 109.974 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.516 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 14.8 p -73.55 -19.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.377 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.46 -30.81 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.686 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 90.1 m -62.71 -48.77 77.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.202 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.547 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.46 -34.67 76.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.262 -177.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.1 m-80 -47.96 -31.22 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.126 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.42 -47.9 83.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.656 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -61.99 -41.44 98.03 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.504 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' OE1' ' NH2' ' A' ' 33' ' ' ARG . 8.0 mm-40 -62.89 -47.66 82.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.935 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -87.01 -49.6 7.22 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.853 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.9 m -103.81 106.17 16.6 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.571 -179.62 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.584 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt 58.25 0.32 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.896 0.379 . . . . 0.0 110.169 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.584 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -93.58 165.8 27.51 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.633 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.9 pttm -65.74 129.92 41.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.88 -19.72 0.11 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.234 179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.633 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.8 mm100 -68.51 -42.07 79.06 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -51.06 43.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.473 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.87 95.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.032 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.81 76.51 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.46 -42.34 95.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.086 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -41.56 42.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.064 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.5 -44.35 97.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.652 -178.042 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.524 ' C ' ' H ' ' A' ' 15' ' ' ALA . 24.3 mt-30 -61.59 -39.59 91.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.209 0.528 . . . . 0.0 109.767 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.65 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.86 -5.03 0.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.884 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.524 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -69.49 -37.34 77.19 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.999 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 p -106.4 -11.41 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.068 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 19.63 7.69 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.49 152.7 20.71 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.91 154.93 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.931 0.396 . . . . 0.0 111.1 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.8 mt -71.19 -40.72 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.84 -6.25 43.22 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.45 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 20.2 t 42.43 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.044 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.17 101.4 0.18 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.87 68.87 1.29 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.28 -2.05 0.57 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.501 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.98 -48.58 81.18 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.37 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.507 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.1 p -72.71 -20.17 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.55 68.05 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . 0.65 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.1 m -62.65 -49.84 73.57 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.16 -178.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.678 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.88 -32.8 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.235 -178.012 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.563 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 49.3 m-80 -52.81 -33.0 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.542 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 t80 -58.11 -47.57 82.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.997 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.77 98.29 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.239 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . 0.678 HE22 ' NE2' ' A' ' 30' ' ' GLN . 57.6 mt-30 -63.11 -44.1 96.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.857 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -89.31 -53.04 4.74 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.098 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.75 106.0 15.83 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.006 0.432 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.934 -1.031 . . . . 0.0 111.145 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.45 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 1' ' ' GLY . 3.8 mt 49.47 103.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.236 0.541 . . . . 0.0 110.538 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.8 169.7 35.84 Favored Glycine 0 C--N 1.323 -0.148 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.643 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.3 pttm -65.19 129.85 41.21 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 67.84 -20.28 0.13 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.205 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.643 ' H ' ' C ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -68.66 -44.19 74.63 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.11 -50.88 44.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.785 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.82 80.2 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.108 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.91 74.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.42 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.4 tp -63.2 -44.82 94.28 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.004 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -42.74 42.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.033 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.971 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -60.1 -38.63 83.51 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.063 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t -56.12 -11.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.412 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -69.41 -38.66 78.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -105.35 -31.82 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.22 38.53 2.28 Favored Glycine 0 N--CA 1.463 0.486 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -129.49 56.86 0.73 Allowed Glycine 0 N--CA 1.465 0.588 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -81.7 174.27 11.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.924 0.392 . . . . 0.0 110.251 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.9 mt -73.83 -24.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.65 -31.55 81.27 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CYS . . . . . 1.446 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.2 t 47.24 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 0.0 110.589 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.65 105.46 1.08 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.538 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 60.35 37.82 93.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.17 -4.32 0.47 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.538 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -62.72 -46.76 86.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.464 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 5.2 m -67.68 -21.64 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.733 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -54.29 -29.69 48.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 111.194 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.6 m -58.86 -49.85 76.22 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.964 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 111.404 -178.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.464 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 42.7 m-80 -60.01 -31.61 70.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.373 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 12.5 t80 -58.89 -42.5 89.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.477 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -41.58 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.108 -0.637 . . . . 0.0 109.539 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.69 -39.71 80.39 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.65 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -90.01 -55.72 3.51 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.065 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 6.3 m -103.8 106.47 16.99 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.021 0.439 . . . . 0.0 110.092 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.054 179.633 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' BGC . . . . . 1.446 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.81 163.12 50.44 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.627 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.6 pttm -65.0 130.02 41.82 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.32 -19.67 0.1 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.195 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.627 ' H ' ' C ' ' A' ' 4' ' ' LYS . 80.1 mm-40 -68.04 -42.83 79.96 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -51.46 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.46 96.53 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.212 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.62 74.25 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.96 -42.85 99.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.122 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -43.04 34.51 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.116 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -63.09 -42.32 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 -178.291 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -61.2 -39.23 89.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.174 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.45 -11.23 1.79 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -69.36 -38.01 77.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.023 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 p -106.64 -33.6 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.169 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.18 39.14 2.01 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.98 52.08 0.83 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 p -81.64 172.85 12.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.32 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 60.7 mt -73.64 -23.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.924 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.46 -33.2 85.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 21' ' ' GLY . 10.8 t 47.63 100.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 0.0 110.75 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.46 104.49 1.2 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 54.51 47.1 71.25 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.0 1.72 0.11 Allowed Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.609 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.43 -46.33 90.42 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.224 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 11.7 p -70.49 -21.05 22.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.062 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.38 -28.23 64.97 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.808 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 74.5 m -61.68 -51.03 70.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.89 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.472 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.77 -33.12 73.35 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.94 -178.149 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.472 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 13.3 m120 -48.85 -32.78 9.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.206 0.527 . . . . 0.0 109.778 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.87 -47.81 84.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.911 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -58.07 -41.84 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.256 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -66.88 -42.82 84.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.582 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.99 -56.65 3.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.065 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.5 m -107.55 105.79 15.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.347 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.842 0.353 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.44 162.55 54.14 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.1 ptpt -65.43 130.53 43.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.594 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.26 -20.32 0.14 Allowed 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.245 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.6 ' H ' ' C ' ' A' ' 4' ' ' LYS . 10.9 mm100 -67.69 -42.16 82.5 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.7 -51.04 37.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.58 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.784 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.14 77.53 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.942 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.74 -42.66 97.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.874 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -40.55 44.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.132 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.67 -44.33 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.594 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' C ' ' H ' ' A' ' 15' ' ' ALA . 88.7 mt-30 -61.95 -40.4 95.42 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.239 0.542 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -56.58 -6.65 0.32 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.025 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 p -105.23 -21.21 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.034 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.53 46.41 0.57 Allowed Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 147.26 17.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.61 161.86 39.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.866 0.365 . . . . 0.0 111.21 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.47 -40.97 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.27 -21.77 62.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 21' ' ' GLY . 11.1 t 52.73 107.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.708 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.76 103.78 0.51 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.95 68.43 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.41 -1.88 0.36 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.468 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.1 -48.69 80.52 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.337 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.445 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 7.5 p -72.6 -20.07 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.007 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.45 -28.65 68.47 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.882 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 77.5 m -63.63 -48.73 76.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.425 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.484 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.78 -34.87 77.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.02 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.416 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 15.1 m120 -50.44 -33.74 22.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' CYS . 27.8 t80 -58.07 -45.97 86.23 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.94 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.003 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.484 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 32.2 mt-30 -63.85 -45.2 90.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.021 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -87.66 -50.65 6.36 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -106.39 105.85 16.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.134 0.492 . . . . 0.0 110.063 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.641 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.18 164.15 38.28 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 6' ' ' GLN . 11.5 ptpt -65.73 130.39 43.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.603 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.87 -20.92 0.15 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 4' ' ' LYS . 86.7 mm-40 -68.32 -43.48 77.5 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.42 -51.39 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.675 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.39 93.32 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.88 76.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.28 -42.1 94.74 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.051 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -43.18 36.08 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.248 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.93 -44.23 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.704 -177.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -60.13 -40.05 88.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.601 . . . . 0.0 109.982 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -55.53 -13.12 1.38 Allowed 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.672 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -68.72 -37.89 79.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.256 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -106.27 -33.22 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.832 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 34.59 2.8 Favored Glycine 0 N--CA 1.463 0.455 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.98 54.71 0.66 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -81.47 171.19 15.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.43 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.0 mt -74.1 -23.57 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.86 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.19 72.86 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 t 46.42 90.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.674 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.08 103.92 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.39 57.89 9.75 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -59.56 0.78 0.59 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.07 -46.83 89.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.487 0.66 . . . . 0.0 110.152 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.431 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 7.6 p -70.59 -20.55 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -29.27 68.45 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.647 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 75.0 m -61.63 -50.03 74.2 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.243 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.479 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.03 -33.2 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.648 -0.821 . . . . 0.0 111.091 -178.079 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.412 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 15.5 m120 -52.71 -32.24 41.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 15.2 t80 -58.14 -47.64 82.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.983 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -41.18 98.77 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.205 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.479 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.1 mt-30 -63.34 -43.89 96.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.72 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -89.21 -52.97 4.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -107.54 105.78 15.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.995 -1.002 . . . . 0.0 111.044 179.902 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.28 0.562 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.8 166.8 32.0 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 20.1 ptmt -64.64 129.29 39.27 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.08 -20.61 0.11 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 76.8 mm-40 -68.64 -43.46 76.22 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -50.7 44.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.469 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.77 88.87 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.042 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.96 73.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.168 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.01 -45.27 94.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.349 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.52 -43.73 54.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.251 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.52 -42.28 99.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.999 -178.142 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.446 ' C ' ' H ' ' A' ' 15' ' ' ALA . 27.4 mm-40 -60.42 -39.71 88.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.388 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -63.48 0.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -67.05 -38.95 86.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.143 0.497 . . . . 0.0 110.403 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -106.67 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.65 45.24 0.16 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.69 138.94 10.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.44 158.9 39.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.705 0.288 . . . . 0.0 110.658 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.8 mt -71.86 -40.78 69.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -63.52 -22.65 66.02 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' GLY . 12.2 t 54.32 110.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.986 0.422 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.0 105.17 0.82 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 48.5 71.52 0.57 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.95 -2.91 0.61 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.08 -48.6 81.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.388 0.613 . . . . 0.0 110.493 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.6 p -71.74 -19.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.7 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.965 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.57 -50.15 73.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.057 0.456 . . . . 0.0 111.23 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.47 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.51 -32.67 72.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.977 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.432 ' N ' ' OE1' ' A' ' 30' ' ' GLN . 12.8 m120 -53.65 -33.1 54.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.678 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.1 t80 -57.67 -46.81 83.76 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -62.92 -42.1 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.966 -178.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.47 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 28.0 mt-30 -64.34 -42.45 96.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.714 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -89.42 -53.95 4.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.6 m -107.26 106.36 16.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 110.287 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.487 179.561 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.955 0.407 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.35 165.12 32.39 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.645 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.7 pttt -65.32 130.11 42.13 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.82 -19.7 0.11 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' A' ' 4' ' ' LYS . 88.1 mm-40 -67.82 -42.82 80.89 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -51.15 32.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.852 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.12 95.23 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.093 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.52 72.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.44 -43.83 98.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.973 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.17 37.13 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 119.844 -0.743 . . . . 0.0 110.291 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.1 tt -62.12 -43.63 98.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.225 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -60.45 -39.13 86.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.1 -9.57 1.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.838 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.03 86.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.303 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -93.1 -32.78 14.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.779 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.34 41.59 0.46 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.27 -177.0 25.51 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 p -151.34 -155.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.57 6.25 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.805 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 10.34 9.55 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.0 t 38.14 93.01 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.117 0 O-C-N 122.657 -0.319 . . . . 0.0 111.416 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.98 104.51 0.44 Allowed Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 126.9 -74.53 0.43 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . 54.98 -68.37 0.01 OUTLIER Glycine 0 C--O 1.227 -0.338 0 C-N-CA 123.531 0.586 . . . . 0.0 111.927 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -68.21 -49.96 57.31 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.811 0.815 . . . . 0.0 109.503 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 6.7 m -73.32 -16.63 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.611 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -54.21 -36.38 63.4 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 121.972 -0.455 . . . . 0.0 110.846 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -62.93 -51.42 66.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.209 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.498 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -69.1 -37.87 78.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.665 -178.388 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -50.11 -31.14 12.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.348 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 21.1 t80 -58.3 -47.64 83.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.17 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -39.45 94.29 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.138 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.498 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 30.3 mt-30 -64.02 -44.45 92.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.524 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -88.84 -52.72 4.96 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -105.74 106.31 16.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.244 179.788 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.78 0.324 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.28 165.14 20.44 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.5 pttm -65.26 129.92 41.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 65.94 -19.34 0.1 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.132 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 84.8 mm-40 -68.18 -42.56 79.78 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.76 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.21 97.1 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.098 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.31 75.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.713 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -43.91 29.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.511 178.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.2 tp -62.42 -45.16 94.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.635 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -64.48 -30.78 71.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.437 0.637 . . . . 0.0 109.851 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -57.5 -24.31 55.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.891 178.774 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -68.7 -37.44 79.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.88 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.3 p -67.8 -32.84 73.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.33 3.99 Favored Glycine 0 N--CA 1.467 0.754 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.67 166.33 37.11 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -148.79 176.36 10.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.931 0.396 . . . . 0.0 110.648 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.13 -25.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.915 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.31 -16.52 4.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.4 t 44.26 94.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.858 0.361 . . . . 0.0 110.663 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.36 -103.14 0.22 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.643 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -124.53 14.29 7.71 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 52.3 -63.24 0.0 OUTLIER Glycine 0 C--N 1.34 0.798 0 O-C-N 124.51 0.771 . . . . 0.0 112.204 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -60.15 -44.68 94.8 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.896 0.855 . . . . 0.0 108.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.439 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 9.6 p -70.02 -23.1 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.294 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -59.41 -29.59 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.793 -0.567 . . . . 0.0 110.611 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 78.7 m -61.81 -49.36 76.64 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.779 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.491 ' H ' ' HG3' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -68.47 -34.64 76.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.931 -178.356 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.419 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 16.1 m120 -49.5 -34.61 17.58 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.531 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.3 t80 -59.86 -45.47 92.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.312 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -60.02 -39.34 85.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.48 0.657 . . . . 0.0 109.287 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.0 mt-30 -71.07 -44.13 66.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.332 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.81 -51.09 6.29 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 5.1 m -107.88 105.53 15.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.62 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.864 0.364 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.95 165.32 37.96 Favored Glycine 0 CA--C 1.517 0.195 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.7 130.49 43.46 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.558 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.34 -20.02 0.14 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.031 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 4' ' ' LYS . 85.4 mm-40 -67.98 -42.62 80.56 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -69.29 -51.05 41.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.926 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.57 98.55 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.324 -0.551 . . . . 0.0 111.057 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.75 74.55 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.061 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.97 -42.29 98.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.215 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -43.44 34.04 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.099 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.91 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.542 -178.445 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -60.33 -39.67 87.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.273 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -57.91 -10.73 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.703 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -67.6 -37.93 83.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.977 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -106.97 -33.83 7.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.991 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.84 40.87 1.65 Allowed Glycine 0 CA--C 1.521 0.412 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.52 54.7 0.78 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -82.48 170.57 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.217 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.6 mt -74.09 -23.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.841 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.62 -34.08 88.97 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t 44.47 90.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 110.682 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.18 105.83 0.84 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 27' ' ' VAL . . . 72.12 35.83 60.66 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.85 -5.27 0.88 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -63.96 -48.66 75.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.108 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 24' ' ' GLY . 17.0 m -71.49 -20.3 20.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.328 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -55.56 -32.94 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.569 -0.707 . . . . 0.0 110.952 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.574 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 80.5 m -62.56 -51.55 66.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.155 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.12 -35.58 76.55 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.148 -177.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.53 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 14.3 m120 -48.09 -31.13 5.17 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.36 0.6 . . . . 0.0 109.999 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 33.3 t80 -59.89 -47.06 87.3 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.397 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' NH1' ' OXT' ' A' ' 37' ' ' ARG . 1.3 tpm_? -59.47 -42.48 92.16 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HG2' ' H ' ' A' ' 34' ' ' GLN . 5.3 mm-40 -65.13 -45.11 86.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.689 -1.142 . . . . 0.0 112.266 -178.527 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.25 -42.05 14.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.255 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' TYR . 20.4 m -101.53 105.02 15.94 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.218 0.532 . . . . 0.0 109.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' OXT' ' NH1' ' A' ' 33' ' ' ARG . 9.5 mpt_? . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.097 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -149.24 155.65 26.43 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 6' ' ' GLN . 13.0 ptpt -68.36 132.97 47.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.25 -16.81 0.15 Allowed 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.126 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.616 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.3 tp60 -67.4 -42.66 82.91 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -53.39 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 113.85 -1.523 . . . . 0.0 112.334 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.17 97.26 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.11 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -65.42 -32.99 74.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.138 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -63.76 -38.69 92.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.904 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -45.11 25.46 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.988 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -64.81 -43.45 93.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.847 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.643 HE22 ' HA3' ' A' ' 21' ' ' GLY . 5.3 pp0? -64.8 -33.06 75.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.31 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 17.9 t -59.85 -18.98 48.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.467 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.06 89.69 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.407 0.622 . . . . 0.0 109.46 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 t -107.77 -29.62 9.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.836 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 73.3 51.71 9.6 Favored Glycine 0 CA--C 1.505 -0.574 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.01 -33.4 3.24 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 114.934 0.733 . . . . 0.0 114.934 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 20' ' ' ILE . 46.8 p -86.2 -113.27 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.594 0.711 . . . . 0.0 112.06 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.558 ' N ' ' OG1' ' A' ' 19' ' ' THR . 50.7 mt -72.89 -23.26 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 114.611 -1.177 . . . . 0.0 108.674 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.643 ' HA3' HE22 ' A' ' 13' ' ' GLN . . . -67.05 -108.88 0.02 OUTLIER Glycine 0 CA--C 1.52 0.384 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.575 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.608 ' SG ' ' N ' ' A' ' 23' ' ' GLY . 40.8 t 49.07 169.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.297 0.57 . . . . 0.0 111.138 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.608 ' N ' ' SG ' ' A' ' 22' ' ' CYS . . . 46.45 77.95 0.09 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 70.6 21.45 77.74 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.551 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -58.35 3.04 0.14 Allowed Glycine 0 C--O 1.224 -0.48 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -56.9 -46.14 82.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.503 0.668 . . . . 0.0 109.956 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 11.0 p -70.13 -21.72 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -58.66 -29.57 66.68 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.56 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.8 m -62.96 -48.63 78.04 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.618 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.485 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.35 -33.2 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.964 -178.144 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 15.5 m120 -50.77 -31.13 15.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 15.7 t80 -57.97 -47.58 82.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -39.62 94.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.485 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.7 mt-30 -63.69 -43.79 95.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -87.54 -45.28 10.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.52 106.77 17.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.031 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.404 179.607 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.506 0.67 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.74 166.46 36.76 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.5 pttt -64.46 129.79 41.22 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 65.85 -20.77 0.09 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.196 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.636 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.4 mp0 -68.61 -41.22 79.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -51.06 44.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.933 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.84 76.48 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.166 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.64 -42.62 97.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.95 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -40.47 41.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.174 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.49 -44.87 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.433 -177.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' A' ' 15' ' ' ALA . 32.8 mt-30 -60.93 -40.64 94.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.292 0.568 . . . . 0.0 109.74 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -58.0 -3.82 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.958 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.44 -37.1 79.95 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.883 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -104.92 -21.61 13.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.113 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 49.22 0.55 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.27 170.4 23.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -152.46 -172.59 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -72.72 -42.47 62.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.657 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -92.02 -5.4 66.07 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.853 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 21' ' ' GLY . 12.5 t 53.15 113.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 159.21 101.61 0.17 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 52.92 56.43 18.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.92 -2.55 0.54 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.71 -48.75 80.38 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.494 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.409 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 8.0 p -73.66 -20.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -27.98 67.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 72.3 m -61.85 -50.52 71.93 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.23 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.478 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.76 -34.75 77.43 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.204 -177.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.415 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 16.1 m120 -51.27 -33.91 30.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.735 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.7 t80 -58.14 -47.32 83.67 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.115 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.709 0.766 . . . . 0.0 109.539 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.478 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.9 mt-30 -63.42 -43.84 96.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.717 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -89.18 -53.05 4.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.74 106.03 15.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.121 0.486 . . . . 0.0 109.818 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.501 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.177 0.513 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.54 149.29 21.13 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.185 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.597 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.9 pttt -66.41 131.8 46.88 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.31 -18.51 0.13 Allowed 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.597 ' H ' ' C ' ' A' ' 4' ' ' LYS . 15.1 tp60 -67.6 -42.32 82.64 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -51.32 36.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.157 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.3 80.46 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.043 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.22 -33.54 75.72 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.41 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 42.6 tp -62.8 -43.06 99.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.076 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -43.21 33.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.825 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 12' ' ' LEU . 2.2 tt -61.48 -43.96 97.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.292 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' C ' ' H ' ' A' ' 15' ' ' ALA . 27.5 mm-40 -60.45 -38.93 85.71 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.263 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -62.45 -1.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.702 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -65.95 -38.01 87.49 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -103.67 -29.0 11.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.95 48.69 0.18 Allowed Glycine 0 N--CA 1.463 0.493 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.32 157.88 27.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.447 ' OG1' ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -155.52 148.13 24.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.1 mt -72.87 -36.85 53.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -67.31 -14.53 64.33 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.406 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLY . 13.0 t 51.59 106.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.39 100.42 0.16 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.602 ' O ' HG22 ' A' ' 27' ' ' VAL . . . 42.84 71.57 0.39 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -44.65 -19.14 0.14 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -64.96 -49.89 68.56 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.732 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' GLY . 20.7 m -72.07 -19.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.226 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -55.61 -32.54 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.783 -0.573 . . . . 0.0 111.044 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 84.8 m -63.45 -51.95 63.5 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.316 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.34 -34.88 75.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.195 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 13.7 m120 -48.85 -31.73 7.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.194 0.521 . . . . 0.0 110.189 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.5 t80 -59.82 -47.68 84.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.746 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -59.33 -40.82 87.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.034 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.61 -42.47 86.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.8 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -88.54 -55.8 3.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.581 -0.448 . . . . 0.0 109.969 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.4 m -106.48 106.02 16.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.956 0.407 . . . . 0.0 110.082 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.358 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.924 0.392 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.65 165.5 20.18 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 6' ' ' GLN . 18.1 pttp -65.81 130.61 43.87 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.65 -22.11 0.12 Allowed 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.616 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.8 mm-40 -68.1 -44.24 76.64 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.67 -51.78 31.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.773 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.82 92.74 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.119 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 5' ' ' ALA . . . -64.08 -32.19 73.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.312 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.02 -42.95 99.44 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.188 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -44.94 50.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.05 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.487 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' GLY . 29.3 mm-40 -60.57 -31.94 71.04 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.17 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -61.71 -16.07 45.91 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.504 179.488 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -71.2 -41.91 69.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 t -111.48 -34.88 5.97 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.487 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . -138.03 -81.85 0.1 OUTLIER Glycine 0 CA--C 1.532 1.152 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.914 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 13' ' ' GLN . . . 139.17 -82.62 0.25 Allowed Glycine 0 N--CA 1.475 1.274 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.67 ' C ' ' H ' ' A' ' 21' ' ' GLY . 3.1 p -86.11 24.94 1.23 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.5 mt 62.85 -22.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 C-N-CA 122.725 0.41 . . . . 0.0 110.368 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.67 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -93.36 2.48 71.04 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLY . 12.3 t 45.89 101.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 111.193 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.16 96.15 0.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 69.81 16.94 72.79 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.38 3.03 0.61 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.76 -46.54 90.07 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.423 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 9.6 p -71.0 -20.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.03 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 76.2 m -60.81 -51.1 70.77 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.002 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.482 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.89 -33.54 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.102 -177.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 16.3 m120 -52.19 -32.98 38.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.132 0.491 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.0 t80 -57.86 -45.64 85.98 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.602 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.8 -42.19 97.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.651 0.738 . . . . 0.0 110.025 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.482 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.1 mt-30 -63.37 -42.06 98.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.694 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.74 -52.8 4.7 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.2 m -105.91 105.95 16.22 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.028 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.766 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.849 0.357 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.13 165.17 28.94 Favored Glycine 0 C--N 1.329 0.169 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.632 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.8 pttm -64.97 129.88 41.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.87 -20.46 0.13 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.02 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.632 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.6 mm-40 -68.85 -43.63 75.04 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -49.96 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.913 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -46.78 88.76 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.906 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -63.55 -31.28 72.39 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.096 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -43.4 47.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.171 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.96 -42.73 99.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.39 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 9' ' ' ALA . 26.7 mm-40 -60.65 -38.17 83.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.077 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -47.05 -37.5 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.356 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.963 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -68.81 -34.37 75.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.099 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.77 -39.42 0.15 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.96 -109.0 0.24 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.565 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -147.91 -161.08 1.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.33 -41.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 0.0 110.164 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -65.04 -29.73 76.13 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 21' ' ' GLY . 13.3 t 56.26 120.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.432 . . . . 0.0 110.812 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.99 103.52 0.55 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 55.8 34.45 61.16 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -60.07 1.73 0.55 Allowed Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -58.5 -46.82 85.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.2 0.524 . . . . 0.0 110.212 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 12.2 p -70.26 -18.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.173 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -58.17 -29.42 65.59 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.231 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.5 m -60.56 -50.53 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.312 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -68.19 -33.59 74.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.82 -178.002 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.453 ' N ' ' OE1' ' A' ' 30' ' ' GLN . 12.7 m120 -52.84 -32.81 46.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.563 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 36' ' ' CYS . 18.3 t80 -57.18 -46.5 82.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.283 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.88 97.14 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.845 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.463 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 26.0 mt-30 -64.83 -41.65 95.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -89.26 -56.19 3.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -105.7 106.6 17.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.181 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.126 179.743 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.997 0.427 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.02 164.96 11.2 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.647 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.12 131.45 46.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.5 -20.72 0.12 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.57 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.647 ' H ' ' C ' ' A' ' 4' ' ' LYS . 20.9 tm0? -66.99 -43.0 84.11 Favored 'General case' 0 N--CA 1.426 -1.635 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -70.83 -51.38 26.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.295 -1.32 . . . . 0.0 111.198 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.41 90.09 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.784 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.89 73.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.072 0.463 . . . . 0.0 110.088 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.91 -43.21 96.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.264 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -39.41 33.84 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.3 -43.44 98.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -62.62 -39.31 93.38 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.804 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -60.81 -7.84 2.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.094 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.48 86.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.9 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -100.58 -24.46 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.2 45.64 0.62 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.38 170.5 23.28 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -150.85 170.99 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.71 -24.54 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -159.84 161.16 32.14 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 21' ' ' GLY . 61.6 m 57.35 157.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.363 -0.419 . . . . 0.0 110.036 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.7 -100.35 0.06 OUTLIER Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.586 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 60.81 -69.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 53.49 -68.66 0.0 OUTLIER Glycine 0 CA--C 1.507 -0.455 0 C-N-CA 124.049 0.833 . . . . 0.0 112.133 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -62.25 -48.54 79.49 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.806 0.812 . . . . 0.0 109.974 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.516 HG22 ' OE1' ' A' ' 30' ' ' GLN . 14.8 p -73.55 -19.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.377 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -58.46 -30.81 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.686 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 90.1 m -62.71 -48.77 77.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.202 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.516 ' OE1' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -68.46 -34.67 76.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.262 -177.53 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 14.1 m120 -47.96 -31.22 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.126 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.42 -47.9 83.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.656 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -61.99 -41.44 98.03 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.504 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.403 ' OE1' ' NH2' ' A' ' 33' ' ' ARG . 8.0 mm-40 -62.89 -47.66 82.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.935 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -87.01 -49.6 7.22 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.853 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.9 m -103.81 106.17 16.6 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.571 -179.62 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.58 165.8 27.51 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.622 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.9 pttm -65.74 129.92 41.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.88 -19.72 0.11 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.234 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.622 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.8 mm100 -68.51 -42.07 79.06 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -51.06 43.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.473 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.87 95.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.032 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.81 76.51 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.46 -42.34 95.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.086 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -41.56 42.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.064 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.5 -44.35 97.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.652 -178.042 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.48 ' C ' ' H ' ' A' ' 15' ' ' ALA . 84.2 mt-30 -61.59 -39.59 91.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.209 0.528 . . . . 0.0 109.767 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.65 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.86 -5.03 0.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.884 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -69.49 -37.34 77.19 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.999 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 p -106.4 -11.41 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.068 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 19.63 7.69 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.49 152.7 20.71 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.91 154.93 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.931 0.396 . . . . 0.0 111.1 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.8 mt -71.19 -40.72 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.84 -6.25 43.22 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.2 t 42.43 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.044 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.17 101.4 0.18 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.87 68.87 1.29 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.28 -2.05 0.57 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.98 -48.58 81.18 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.37 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 7.1 p -72.71 -20.17 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.55 68.05 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' CYS . . . . . 0.65 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.1 m -62.65 -49.84 73.57 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.16 -178.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.471 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.88 -32.8 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.235 -178.012 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.413 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 14.9 m120 -52.81 -33.0 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.542 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 t80 -58.11 -47.57 82.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.997 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.77 98.29 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.239 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLN . . . . . 0.471 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.4 mt-30 -63.11 -44.1 96.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.857 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -89.31 -53.04 4.74 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.098 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.75 106.0 15.83 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.006 0.432 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.934 -1.031 . . . . 0.0 111.145 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.236 0.541 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.8 169.7 35.84 Favored Glycine 0 C--N 1.323 -0.148 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.3 pttm -65.19 129.85 41.21 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.84 -20.28 0.13 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.205 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -68.66 -44.19 74.63 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.11 -50.88 44.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.785 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.82 80.2 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.108 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.91 74.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.42 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.4 tp -63.2 -44.82 94.28 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.004 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -42.74 42.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.033 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.971 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.1 -38.63 83.51 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.063 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t -56.12 -11.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.66 78.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -105.35 -31.82 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.22 38.53 2.28 Favored Glycine 0 N--CA 1.463 0.486 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.49 56.86 0.73 Allowed Glycine 0 N--CA 1.465 0.588 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -81.7 174.27 11.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.924 0.392 . . . . 0.0 110.251 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.9 mt -73.83 -24.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.65 -31.55 81.27 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.2 t 47.24 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 0.0 110.589 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.65 105.46 1.08 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 60.35 37.82 93.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.17 -4.32 0.47 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -62.72 -46.76 86.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 24' ' ' GLY . 5.2 m -67.68 -21.64 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.733 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -54.29 -29.69 48.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 111.194 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.6 m -58.86 -49.85 76.22 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.964 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 111.404 -178.343 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 30' ' ' GLN . 42.7 m-80 -60.01 -31.61 70.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.373 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 12.5 t80 -58.89 -42.5 89.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.477 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -41.58 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.108 -0.637 . . . . 0.0 109.539 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -68.69 -39.71 80.39 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.65 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -90.01 -55.72 3.51 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.065 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 6.3 m -103.8 106.47 16.99 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.021 0.439 . . . . 0.0 110.092 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.054 179.633 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt 56.68 3.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 110.175 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -68.81 163.12 50.44 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.627 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.6 pttm -65.0 130.02 41.82 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.32 -19.67 0.1 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.195 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.627 ' H ' ' C ' ' A' ' 4' ' ' LYS . 80.1 mm-40 -68.04 -42.83 79.96 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -51.46 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.46 96.53 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.212 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.62 74.25 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.96 -42.85 99.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.122 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -43.04 34.51 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.116 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -63.09 -42.32 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 -178.291 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -61.2 -39.23 89.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.174 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.45 -11.23 1.79 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -69.36 -38.01 77.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.023 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 p -106.64 -33.6 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.169 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.18 39.14 2.01 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.98 52.08 0.83 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 p -81.64 172.85 12.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.32 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 60.7 mt -73.64 -23.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.924 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.46 -33.2 85.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.455 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 10.8 t 47.63 100.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 0.0 110.75 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.46 104.49 1.2 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 54.51 47.1 71.25 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.0 1.72 0.11 Allowed Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.609 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.43 -46.33 90.42 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.224 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 11.7 p -70.49 -21.05 22.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.062 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.38 -28.23 64.97 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.808 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 74.5 m -61.68 -51.03 70.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.89 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.472 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.77 -33.12 73.35 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.94 -178.149 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.472 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 13.3 m120 -48.85 -32.78 9.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.206 0.527 . . . . 0.0 109.778 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.87 -47.81 84.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.911 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -58.07 -41.84 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.256 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -66.88 -42.82 84.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.582 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.99 -56.65 3.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.065 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.5 m -107.55 105.79 15.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.347 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.455 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.9 mt 58.31 0.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.842 0.353 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -74.44 162.55 54.14 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.1 ptpt -65.43 130.53 43.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.594 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.26 -20.32 0.14 Allowed 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.245 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.6 ' H ' ' C ' ' A' ' 4' ' ' LYS . 10.9 mm100 -67.69 -42.16 82.5 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.7 -51.04 37.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.58 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.784 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.14 77.53 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.942 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.74 -42.66 97.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.874 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -40.55 44.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.132 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.545 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.67 -44.33 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.594 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' C ' ' H ' ' A' ' 15' ' ' ALA . 88.7 mt-30 -61.95 -40.4 95.42 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.239 0.542 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -56.58 -6.65 0.32 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.025 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 p -105.23 -21.21 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.034 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.53 46.41 0.57 Allowed Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 147.26 17.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.61 161.86 39.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.866 0.365 . . . . 0.0 111.21 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.47 -40.97 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.27 -21.77 62.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.452 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 11.1 t 52.73 107.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.708 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.76 103.78 0.51 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.95 68.43 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.41 -1.88 0.36 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.468 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.1 -48.69 80.52 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.337 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.445 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 7.5 p -72.6 -20.07 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.007 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.45 -28.65 68.47 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.882 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 77.5 m -63.63 -48.73 76.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.425 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.484 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.78 -34.87 77.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.02 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.416 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 15.1 m120 -50.44 -33.74 22.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' CYS . 27.8 t80 -58.07 -45.97 86.23 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.94 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.003 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.484 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 32.2 mt-30 -63.85 -45.2 90.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.021 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -87.66 -50.65 6.36 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -106.39 105.85 16.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.134 0.492 . . . . 0.0 110.063 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.641 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.452 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.553 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt 57.95 0.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.553 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -85.18 164.15 38.28 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 6' ' ' GLN . 11.5 ptpt -65.73 130.39 43.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.603 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.87 -20.92 0.15 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 4' ' ' LYS . 86.7 mm-40 -68.32 -43.48 77.5 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.42 -51.39 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.675 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.39 93.32 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.88 76.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.28 -42.1 94.74 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.051 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -43.18 36.08 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.248 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.93 -44.23 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.704 -177.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -60.13 -40.05 88.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.601 . . . . 0.0 109.982 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -55.53 -13.12 1.38 Allowed 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.672 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -68.72 -37.89 79.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.256 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -106.27 -33.22 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.832 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 34.59 2.8 Favored Glycine 0 N--CA 1.463 0.455 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.98 54.71 0.66 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -81.47 171.19 15.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.43 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.0 mt -74.1 -23.57 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.86 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.19 72.86 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.447 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.6 t 46.42 90.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.674 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.08 103.92 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.39 57.89 9.75 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -59.56 0.78 0.59 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.07 -46.83 89.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.487 0.66 . . . . 0.0 110.152 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.431 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 7.6 p -70.59 -20.55 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -29.27 68.45 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.647 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 75.0 m -61.63 -50.03 74.2 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.243 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.479 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.03 -33.2 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.648 -0.821 . . . . 0.0 111.091 -178.079 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.412 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 15.5 m120 -52.71 -32.24 41.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 15.2 t80 -58.14 -47.64 82.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.983 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -41.18 98.77 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.205 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.479 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.1 mt-30 -63.34 -43.89 96.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.72 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -89.21 -52.97 4.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -107.54 105.78 15.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.995 -1.002 . . . . 0.0 111.044 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.447 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 1' ' ' GLY . 4.5 mt 49.37 102.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.28 0.562 . . . . 0.0 110.411 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.8 166.8 32.0 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 20.1 ptmt -64.64 129.29 39.27 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.08 -20.61 0.11 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 76.8 mm-40 -68.64 -43.46 76.22 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -50.7 44.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.469 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.77 88.87 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.042 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.96 73.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.168 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.01 -45.27 94.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.349 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.52 -43.73 54.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.251 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.537 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.52 -42.28 99.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.999 -178.142 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.446 ' C ' ' H ' ' A' ' 15' ' ' ALA . 27.4 mm-40 -60.42 -39.71 88.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.388 -179.7 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -63.48 0.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -67.05 -38.95 86.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.143 0.497 . . . . 0.0 110.403 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -106.67 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.65 45.24 0.16 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.69 138.94 10.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.44 158.9 39.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.705 0.288 . . . . 0.0 110.658 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.8 mt -71.86 -40.78 69.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -63.52 -22.65 66.02 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.449 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.2 t 54.32 110.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.986 0.422 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.0 105.17 0.82 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 48.5 71.52 0.57 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.95 -2.91 0.61 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.08 -48.6 81.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.388 0.613 . . . . 0.0 110.493 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.6 p -71.74 -19.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.7 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.965 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.57 -50.15 73.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.057 0.456 . . . . 0.0 111.23 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.47 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.51 -32.67 72.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.977 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.432 ' N ' ' OE1' ' A' ' 30' ' ' GLN . 12.8 m120 -53.65 -33.1 54.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.678 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.1 t80 -57.67 -46.81 83.76 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -62.92 -42.1 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.966 -178.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.47 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 28.0 mt-30 -64.34 -42.45 96.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.714 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -89.42 -53.95 4.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.6 m -107.26 106.36 16.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 110.287 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.487 179.561 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.449 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.9 mt 58.06 1.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 0.0 110.212 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -89.35 165.12 32.39 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.645 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.7 pttt -65.32 130.11 42.13 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.82 -19.7 0.11 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' A' ' 4' ' ' LYS . 88.1 mm-40 -67.82 -42.82 80.89 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -51.15 32.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.852 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.12 95.23 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.093 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.52 72.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.44 -43.83 98.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.973 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.17 37.13 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 119.844 -0.743 . . . . 0.0 110.291 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.1 tt -62.12 -43.63 98.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.225 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -60.45 -39.13 86.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.1 -9.57 1.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.838 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.03 86.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.303 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -93.1 -32.78 14.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.779 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.34 41.59 0.46 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.27 -177.0 25.51 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 p -151.34 -155.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.57 6.25 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.805 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 10.34 9.55 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.418 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 31.0 t 38.14 93.01 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.117 0 O-C-N 122.657 -0.319 . . . . 0.0 111.416 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.98 104.51 0.44 Allowed Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 126.9 -74.53 0.43 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . 54.98 -68.37 0.01 OUTLIER Glycine 0 C--O 1.227 -0.338 0 C-N-CA 123.531 0.586 . . . . 0.0 111.927 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -68.21 -49.96 57.31 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.811 0.815 . . . . 0.0 109.503 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 6.7 m -73.32 -16.63 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.611 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -54.21 -36.38 63.4 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 121.972 -0.455 . . . . 0.0 110.846 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -62.93 -51.42 66.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.209 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.498 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -69.1 -37.87 78.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.665 -178.388 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.7 m120 -50.11 -31.14 12.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.348 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 21.1 t80 -58.3 -47.64 83.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.17 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -39.45 94.29 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.138 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.498 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 30.3 mt-30 -64.02 -44.45 92.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.524 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -88.84 -52.72 4.96 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -105.74 106.31 16.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.244 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.418 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.0 mt 57.73 0.38 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.78 0.324 . . . . 0.0 110.461 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.554 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -99.28 165.14 20.44 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.5 pttm -65.26 129.92 41.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 65.94 -19.34 0.1 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.132 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 84.8 mm-40 -68.18 -42.56 79.78 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.76 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.21 97.1 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.098 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.31 75.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.713 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -43.91 29.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.511 178.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.2 tp -62.42 -45.16 94.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.635 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 32.3 mm-40 -64.48 -30.78 71.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.437 0.637 . . . . 0.0 109.851 -179.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -57.5 -24.31 55.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.891 178.774 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -68.7 -37.44 79.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.88 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.3 p -67.8 -32.84 73.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.33 3.99 Favored Glycine 0 N--CA 1.467 0.754 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.67 166.33 37.11 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -148.79 176.36 10.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.931 0.396 . . . . 0.0 110.648 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.13 -25.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.915 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.31 -16.52 4.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.455 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.4 t 44.26 94.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.858 0.361 . . . . 0.0 110.663 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.36 -103.14 0.22 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.643 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -124.53 14.29 7.71 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 52.3 -63.24 0.0 OUTLIER Glycine 0 C--N 1.34 0.798 0 O-C-N 124.51 0.771 . . . . 0.0 112.204 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -60.15 -44.68 94.8 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.896 0.855 . . . . 0.0 108.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.439 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 9.6 p -70.02 -23.1 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.294 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -59.41 -29.59 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.793 -0.567 . . . . 0.0 110.611 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 78.7 m -61.81 -49.36 76.64 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.779 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.491 ' HG3' ' H ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -68.47 -34.64 76.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.931 -178.356 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.419 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 16.1 m120 -49.5 -34.61 17.58 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.531 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.3 t80 -59.86 -45.47 92.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.312 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -60.02 -39.34 85.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.48 0.657 . . . . 0.0 109.287 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.487 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.0 mt-30 -71.07 -44.13 66.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.332 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.81 -51.09 6.29 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 5.1 m -107.88 105.53 15.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.62 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.455 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt 58.24 1.1 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 0.0 110.152 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -85.95 165.32 37.96 Favored Glycine 0 CA--C 1.517 0.195 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.7 130.49 43.46 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.558 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.34 -20.02 0.14 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.031 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 4' ' ' LYS . 85.4 mm-40 -67.98 -42.62 80.56 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -69.29 -51.05 41.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.926 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.57 98.55 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.324 -0.551 . . . . 0.0 111.057 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.75 74.55 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.061 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.97 -42.29 98.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.215 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -43.44 34.04 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.099 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.489 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.91 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.542 -178.445 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 26.5 mm-40 -60.33 -39.67 87.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.273 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -57.91 -10.73 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.703 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -67.6 -37.93 83.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.977 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -106.97 -33.83 7.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.991 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.84 40.87 1.65 Allowed Glycine 0 CA--C 1.521 0.412 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.52 54.7 0.78 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -82.48 170.57 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.217 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.6 mt -74.09 -23.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.841 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.62 -34.08 88.97 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.448 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.6 t 44.47 90.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.18 105.83 0.84 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 27' ' ' VAL . . . 72.12 35.83 60.66 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.85 -5.27 0.88 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -63.96 -48.66 75.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.108 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 24' ' ' GLY . 17.0 m -71.49 -20.3 20.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.328 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -55.56 -32.94 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.569 -0.707 . . . . 0.0 110.952 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.574 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 80.5 m -62.56 -51.55 66.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.155 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.12 -35.58 76.55 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.148 -177.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.53 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 14.3 m120 -48.09 -31.13 5.17 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.36 0.6 . . . . 0.0 109.999 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 33.3 t80 -59.89 -47.06 87.3 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.397 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' NH1' ' OXT' ' A' ' 37' ' ' ARG . 1.3 tpm_? -59.47 -42.48 92.16 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HG2' ' H ' ' A' ' 34' ' ' GLN . 5.3 mm-40 -65.13 -45.11 86.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.689 -1.142 . . . . 0.0 112.266 -178.527 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.25 -42.05 14.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.255 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' TYR . 20.4 m -101.53 105.02 15.94 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.218 0.532 . . . . 0.0 109.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' OXT' ' NH1' ' A' ' 33' ' ' ARG . 9.5 mpt_? . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.097 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.448 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.579 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt 59.42 4.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -149.24 155.65 26.43 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 6' ' ' GLN . 13.0 ptpt -68.36 132.97 47.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.25 -16.81 0.15 Allowed 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.126 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.616 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.3 tp60 -67.4 -42.66 82.91 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -71.44 -53.39 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 113.85 -1.523 . . . . 0.0 112.334 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.17 97.26 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.11 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -65.42 -32.99 74.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.138 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -63.76 -38.69 92.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.904 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -45.11 25.46 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.988 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -64.81 -43.45 93.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.847 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.643 HE22 ' HA3' ' A' ' 21' ' ' GLY . 5.3 pp0? -64.8 -33.06 75.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.31 -178.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 17.9 t -59.85 -18.98 48.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.467 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.06 89.69 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.407 0.622 . . . . 0.0 109.46 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 t -107.77 -29.62 9.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.836 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 73.3 51.71 9.6 Favored Glycine 0 CA--C 1.505 -0.574 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.01 -33.4 3.24 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 114.934 0.733 . . . . 0.0 114.934 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 20' ' ' ILE . 46.8 p -86.2 -113.27 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.594 0.711 . . . . 0.0 112.06 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.558 ' N ' ' OG1' ' A' ' 19' ' ' THR . 50.7 mt -72.89 -23.26 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 114.611 -1.177 . . . . 0.0 108.674 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.643 ' HA3' HE22 ' A' ' 13' ' ' GLN . . . -67.05 -108.88 0.02 OUTLIER Glycine 0 CA--C 1.52 0.384 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.575 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.436 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 40.8 t 49.07 169.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.297 0.57 . . . . 0.0 111.138 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.805 ' N ' ' C1 ' ' A' ' 101' ' ' BGC . . . 46.45 77.95 0.09 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 70.6 21.45 77.74 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.551 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -58.35 3.04 0.14 Allowed Glycine 0 C--O 1.224 -0.48 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -56.9 -46.14 82.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.503 0.668 . . . . 0.0 109.956 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 11.0 p -70.13 -21.72 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -58.66 -29.57 66.68 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.56 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.8 m -62.96 -48.63 78.04 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.618 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.485 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.35 -33.2 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.964 -178.144 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 15.5 m120 -50.77 -31.13 15.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 15.7 t80 -57.97 -47.58 82.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -39.62 94.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.485 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.7 mt-30 -63.69 -43.79 95.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -87.54 -45.28 10.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.52 106.77 17.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.031 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.404 179.607 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.436 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp 43.31 68.23 0.54 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.506 0.67 . . . . 0.0 110.362 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.74 166.46 36.76 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.5 pttt -64.46 129.79 41.22 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 65.85 -20.77 0.09 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.196 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.636 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.4 mp0 -68.61 -41.22 79.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -51.06 44.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.933 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.84 76.48 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.166 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.64 -42.62 97.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.95 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -40.47 41.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.174 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.517 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.49 -44.87 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.433 -177.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' A' ' 15' ' ' ALA . 32.8 mt-30 -60.93 -40.64 94.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.292 0.568 . . . . 0.0 109.74 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -58.0 -3.82 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.958 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.44 -37.1 79.95 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.883 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -104.92 -21.61 13.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.113 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 49.22 0.55 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.27 170.4 23.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -152.46 -172.59 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -72.72 -42.47 62.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.657 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -92.02 -5.4 66.07 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.853 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.415 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.5 t 53.15 113.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 159.21 101.61 0.17 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 52.92 56.43 18.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.92 -2.55 0.54 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.71 -48.75 80.38 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.494 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.409 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 8.0 p -73.66 -20.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -27.98 67.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 72.3 m -61.85 -50.52 71.93 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.23 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.478 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.76 -34.75 77.43 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.204 -177.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.415 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 16.1 m120 -51.27 -33.91 30.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.735 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.7 t80 -58.14 -47.32 83.67 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.115 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.709 0.766 . . . . 0.0 109.539 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.478 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.9 mt-30 -63.42 -43.84 96.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.717 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -89.18 -53.05 4.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.74 106.03 15.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.121 0.486 . . . . 0.0 109.818 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.501 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.415 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.5 ' C ' ' N ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mp 44.75 18.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.177 0.513 . . . . 0.0 110.135 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.5 ' N ' ' C ' ' A' ' 1' ' ' GLY . . . -150.54 149.29 21.13 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.597 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.9 pttt -66.41 131.8 46.88 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.31 -18.51 0.13 Allowed 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 179.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.597 ' H ' ' C ' ' A' ' 4' ' ' LYS . 15.1 tp60 -67.6 -42.32 82.64 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -51.32 36.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.157 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.3 80.46 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.043 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.22 -33.54 75.72 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.41 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 42.6 tp -62.8 -43.06 99.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.076 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -43.21 33.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.825 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 12' ' ' LEU . 2.2 tt -61.48 -43.96 97.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.292 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' C ' ' H ' ' A' ' 15' ' ' ALA . 27.5 mm-40 -60.45 -38.93 85.71 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.263 179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -62.45 -1.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.702 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -65.95 -38.01 87.49 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -103.67 -29.0 11.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.95 48.69 0.18 Allowed Glycine 0 N--CA 1.463 0.493 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.32 157.88 27.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.447 ' OG1' ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -155.52 148.13 24.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 75.1 mt -72.87 -36.85 53.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -67.31 -14.53 64.33 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.406 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.455 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.0 t 51.59 106.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.39 100.42 0.16 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.602 ' O ' HG22 ' A' ' 27' ' ' VAL . . . 42.84 71.57 0.39 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -44.65 -19.14 0.14 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -64.96 -49.89 68.56 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.732 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' GLY . 20.7 m -72.07 -19.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.226 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -55.61 -32.54 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.783 -0.573 . . . . 0.0 111.044 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 84.8 m -63.45 -51.95 63.5 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.316 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.34 -34.88 75.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.195 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.519 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 13.7 m120 -48.85 -31.73 7.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.194 0.521 . . . . 0.0 110.189 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.5 t80 -59.82 -47.68 84.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.746 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -59.33 -40.82 87.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.034 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.61 -42.47 86.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.8 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -88.54 -55.8 3.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.581 -0.448 . . . . 0.0 109.969 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.4 m -106.48 106.02 16.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.956 0.407 . . . . 0.0 110.082 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.358 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.455 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.6 mt 57.88 0.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.031 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -99.65 165.5 20.18 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 6' ' ' GLN . 18.1 pttp -65.81 130.61 43.87 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.65 -22.11 0.12 Allowed 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.616 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.8 mm-40 -68.1 -44.24 76.64 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.67 -51.78 31.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.773 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.82 92.74 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.119 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 5' ' ' ALA . . . -64.08 -32.19 73.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.312 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.02 -42.95 99.44 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.188 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -44.94 50.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.05 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.51 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.487 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' GLY . 29.3 mm-40 -60.57 -31.94 71.04 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.17 179.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -61.71 -16.07 45.91 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.504 179.488 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -71.2 -41.91 69.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 t -111.48 -34.88 5.97 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.487 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . -138.03 -81.85 0.1 OUTLIER Glycine 0 CA--C 1.532 1.152 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.914 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 13' ' ' GLN . . . 139.17 -82.62 0.25 Allowed Glycine 0 N--CA 1.475 1.274 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.67 ' C ' ' H ' ' A' ' 21' ' ' GLY . 3.1 p -86.11 24.94 1.23 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.5 mt 62.85 -22.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 C-N-CA 122.725 0.41 . . . . 0.0 110.368 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.67 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -93.36 2.48 71.04 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.423 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.3 t 45.89 101.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 111.193 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.16 96.15 0.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 69.81 16.94 72.79 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.38 3.03 0.61 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.76 -46.54 90.07 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.423 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 9.6 p -71.0 -20.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.03 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 76.2 m -60.81 -51.1 70.77 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.002 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.482 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.89 -33.54 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.102 -177.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.401 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 16.3 m120 -52.19 -32.98 38.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.132 0.491 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.0 t80 -57.86 -45.64 85.98 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.602 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.8 -42.19 97.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.651 0.738 . . . . 0.0 110.025 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.482 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.1 mt-30 -63.37 -42.06 98.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.694 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.74 -52.8 4.7 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.2 m -105.91 105.95 16.22 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.028 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.766 179.829 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.423 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.5 mt 58.33 -0.09 0.12 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 110.466 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -92.13 165.17 28.94 Favored Glycine 0 C--N 1.329 0.169 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.632 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.8 pttm -64.97 129.88 41.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.87 -20.46 0.13 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.02 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.632 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.6 mm-40 -68.85 -43.63 75.04 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -49.96 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.913 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -46.78 88.76 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.906 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -63.55 -31.28 72.39 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.096 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -43.4 47.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.171 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.96 -42.73 99.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.39 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 9' ' ' ALA . 26.7 mm-40 -60.65 -38.17 83.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.077 -179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -47.05 -37.5 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.356 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.963 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -68.81 -34.37 75.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.099 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.77 -39.42 0.15 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.96 -109.0 0.24 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.565 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -147.91 -161.08 1.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.33 -41.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 0.0 110.164 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -65.04 -29.73 76.13 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.411 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.3 t 56.26 120.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.432 . . . . 0.0 110.812 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.99 103.52 0.55 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 55.8 34.45 61.16 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -60.07 1.73 0.55 Allowed Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -58.5 -46.82 85.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.2 0.524 . . . . 0.0 110.212 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 12.2 p -70.26 -18.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.173 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -58.17 -29.42 65.59 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.231 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.5 m -60.56 -50.53 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.312 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.5 ' HG3' ' O ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -68.19 -33.59 74.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.82 -178.002 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.453 ' N ' ' OE1' ' A' ' 30' ' ' GLN . 12.7 m120 -52.84 -32.81 46.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.563 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 36' ' ' CYS . 18.3 t80 -57.18 -46.5 82.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.283 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.88 97.14 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.845 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.463 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 26.0 mt-30 -64.83 -41.65 95.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -89.26 -56.19 3.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -105.7 106.6 17.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.181 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.126 179.743 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.411 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 1' ' ' GLY . 8.1 mt 55.59 158.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.997 0.427 . . . . 0.0 110.495 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.02 164.96 11.2 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.647 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.12 131.45 46.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.5 -20.72 0.12 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.57 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.647 ' H ' ' C ' ' A' ' 4' ' ' LYS . 20.9 tm0? -66.99 -43.0 84.11 Favored 'General case' 0 N--CA 1.426 -1.635 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -70.83 -51.38 26.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.295 -1.32 . . . . 0.0 111.198 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.41 90.09 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.784 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.89 73.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.072 0.463 . . . . 0.0 110.088 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.91 -43.21 96.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.264 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -39.41 33.84 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.3 -43.44 98.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 29.3 mm-40 -62.62 -39.31 93.38 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.804 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -60.81 -7.84 2.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.094 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.48 86.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.9 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -100.58 -24.46 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.2 45.64 0.62 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.38 170.5 23.28 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -150.85 170.99 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.71 -24.54 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -159.84 161.16 32.14 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 21' ' ' GLY . 61.6 m 57.35 157.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.363 -0.419 . . . . 0.0 110.036 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.7 -100.35 0.06 OUTLIER Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.586 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 60.81 -69.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 53.49 -68.66 0.0 OUTLIER Glycine 0 CA--C 1.507 -0.455 0 C-N-CA 124.049 0.833 . . . . 0.0 112.133 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -62.25 -48.54 79.49 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.806 0.812 . . . . 0.0 109.974 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.516 HG22 ' OE1' ' A' ' 30' ' ' GLN . 14.8 p -73.55 -19.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.377 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -58.46 -30.81 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.686 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 90.1 m -62.71 -48.77 77.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.202 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.516 ' OE1' HG22 ' A' ' 27' ' ' VAL . 0.0 OUTLIER -68.46 -34.67 76.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.262 -177.53 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.48 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 14.1 m120 -47.96 -31.22 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.126 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.42 -47.9 83.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.656 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -61.99 -41.44 98.03 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.504 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' OE1' ' NH2' ' A' ' 33' ' ' ARG . 8.0 mm-40 -62.89 -47.66 82.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.935 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -87.01 -49.6 7.22 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.853 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.9 m -103.81 106.17 16.6 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.571 -179.62 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' BGC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.558 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt 58.25 0.32 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.896 0.379 . . . . 0.0 110.169 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.558 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -93.58 165.8 27.51 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.9 pttm -65.74 129.92 41.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.88 -19.72 0.11 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.234 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.622 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.8 mm100 -68.51 -42.07 79.06 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -51.06 43.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.473 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.87 95.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.032 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.81 76.51 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.46 -42.34 95.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.086 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -41.56 42.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.064 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.5 -44.35 97.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.652 -178.042 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.48 ' C ' ' H ' ' A' ' 15' ' ' ALA . 84.2 mt-30 -61.59 -39.59 91.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.209 0.528 . . . . 0.0 109.767 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.65 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.86 -5.03 0.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.884 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -69.49 -37.34 77.19 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.999 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 p -106.4 -11.41 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.068 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 19.63 7.69 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.49 152.7 20.71 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.91 154.93 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.931 0.396 . . . . 0.0 111.1 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.8 mt -71.19 -40.72 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.84 -6.25 43.22 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.45 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 20.2 t 42.43 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.044 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.17 101.4 0.18 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.87 68.87 1.29 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.28 -2.05 0.57 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.98 -48.58 81.18 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.37 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' O ' ' OE1' ' A' ' 30' ' ' GLN . 7.1 p -72.71 -20.17 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.55 68.05 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' CYS . . . . . 0.65 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.1 m -62.65 -49.84 73.57 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.16 -178.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.471 ' NE2' ' OE1' ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.88 -32.8 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.235 -178.012 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.413 ' OD1' ' OE1' ' A' ' 30' ' ' GLN . 14.9 m120 -52.81 -33.0 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.542 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 t80 -58.11 -47.57 82.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.997 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.77 98.29 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.239 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLN . . . . . 0.471 ' OE1' ' NE2' ' A' ' 30' ' ' GLN . 31.4 mt-30 -63.11 -44.1 96.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.857 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -89.31 -53.04 4.74 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.098 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.75 106.0 15.83 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.006 0.432 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.934 -1.031 . . . . 0.0 111.145 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.45 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 1' ' ' GLY . 3.8 mt 49.47 103.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.236 0.541 . . . . 0.0 110.538 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.8 169.7 35.84 Favored Glycine 0 C--N 1.323 -0.148 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.3 pttm -65.19 129.85 41.21 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.84 -20.28 0.13 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.205 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -68.66 -44.19 74.63 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.11 -50.88 44.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.785 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.82 80.2 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.108 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.91 74.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.42 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.4 tp -63.2 -44.82 94.28 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.004 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -42.74 42.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.033 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.971 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 28.0 mm-40 -60.1 -38.63 83.51 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.063 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t -56.12 -11.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.66 78.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -105.35 -31.82 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.22 38.53 2.28 Favored Glycine 0 N--CA 1.463 0.486 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -129.49 56.86 0.73 Allowed Glycine 0 N--CA 1.465 0.588 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 -179.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -81.7 174.27 11.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.924 0.392 . . . . 0.0 110.251 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.9 mt -73.83 -24.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.65 -31.55 81.27 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CYS . . . . . 1.446 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.2 t 47.24 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 0.0 110.589 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.65 105.46 1.08 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 60.35 37.82 93.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.17 -4.32 0.47 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -62.72 -46.76 86.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 24' ' ' GLY . 5.2 m -67.68 -21.64 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.733 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -54.29 -29.69 48.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 111.194 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.6 m -58.86 -49.85 76.22 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.964 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 111.404 -178.343 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 30' ' ' GLN . 42.7 m-80 -60.01 -31.61 70.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.373 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 12.5 t80 -58.89 -42.5 89.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.477 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -41.58 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.108 -0.637 . . . . 0.0 109.539 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 17.6 mt-30 -68.69 -39.71 80.39 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.65 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -90.01 -55.72 3.51 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.065 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 6.3 m -103.8 106.47 16.99 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.021 0.439 . . . . 0.0 110.092 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.054 179.633 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' BGC . . . . . 1.446 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -68.81 163.12 50.44 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.627 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.6 pttm -65.0 130.02 41.82 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.32 -19.67 0.1 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.195 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.627 ' H ' ' C ' ' A' ' 4' ' ' LYS . 80.1 mm-40 -68.04 -42.83 79.96 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -51.46 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.46 96.53 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.212 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.62 74.25 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.96 -42.85 99.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.122 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -43.04 34.51 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.116 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -63.09 -42.32 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 -178.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.2 -39.23 89.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.174 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.45 -11.23 1.79 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -69.36 -38.01 77.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.023 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 p -106.64 -33.6 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.169 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.18 39.14 2.01 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.98 52.08 0.83 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 p -81.64 172.85 12.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.32 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 60.7 mt -73.64 -23.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.924 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.46 -33.2 85.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.423 ' O ' ' O ' ' A' ' 21' ' ' GLY . 10.8 t 47.63 100.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 0.0 110.75 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.46 104.49 1.2 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 54.51 47.1 71.25 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.0 1.72 0.11 Allowed Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.609 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.43 -46.33 90.42 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.224 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.483 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.7 p -70.49 -21.05 22.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.062 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HA ' HD22 ' A' ' 31' ' ' ASN . . . -58.38 -28.23 64.97 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.808 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 74.5 m -61.68 -51.03 70.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.89 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.566 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.77 -33.12 73.35 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.94 -178.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.566 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 44.7 m-80 -48.85 -32.78 9.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.206 0.527 . . . . 0.0 109.778 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.87 -47.81 84.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.911 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -58.07 -41.84 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.256 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -66.88 -42.82 84.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.582 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.99 -56.65 3.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.065 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.5 m -107.55 105.79 15.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.347 179.996 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.842 0.353 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -74.44 162.55 54.14 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 179.596 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.1 ptpt -65.43 130.53 43.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.594 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.26 -20.32 0.14 Allowed 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.245 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.6 ' H ' ' C ' ' A' ' 4' ' ' LYS . 10.9 mm100 -67.69 -42.16 82.5 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.7 -51.04 37.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.58 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.784 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.14 77.53 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.942 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.74 -42.66 97.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.874 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -40.55 44.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.132 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.67 -44.33 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.594 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.47 ' C ' ' H ' ' A' ' 15' ' ' ALA . 25.7 mt-30 -61.95 -40.4 95.42 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.239 0.542 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -56.58 -6.65 0.32 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.025 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 p -105.23 -21.21 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.034 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.53 46.41 0.57 Allowed Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 147.26 17.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.61 161.86 39.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.866 0.365 . . . . 0.0 111.21 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.47 -40.97 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.27 -21.77 62.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.429 ' O ' ' O ' ' A' ' 21' ' ' GLY . 11.1 t 52.73 107.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.708 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.76 103.78 0.51 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.95 68.43 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.41 -1.88 0.36 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.468 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.1 -48.69 80.52 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.337 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.517 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.5 p -72.6 -20.07 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.007 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.45 -28.65 68.47 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.882 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 77.5 m -63.63 -48.73 76.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.425 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.66 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.78 -34.87 77.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.02 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.565 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.0 m-80 -50.44 -33.74 22.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' CYS . 27.8 t80 -58.07 -45.97 86.23 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.94 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.003 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.66 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.2 mt-30 -63.85 -45.2 90.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.021 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -87.66 -50.65 6.36 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -106.39 105.85 16.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.134 0.492 . . . . 0.0 110.063 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.641 179.883 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.18 164.15 38.28 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 6' ' ' GLN . 11.5 ptpt -65.73 130.39 43.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.603 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.87 -20.92 0.15 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 4' ' ' LYS . 86.7 mm-40 -68.32 -43.48 77.5 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.42 -51.39 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.675 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.39 93.32 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.88 76.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.28 -42.1 94.74 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.051 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -43.18 36.08 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.248 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.521 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.93 -44.23 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.704 -177.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -60.13 -40.05 88.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.601 . . . . 0.0 109.982 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -55.53 -13.12 1.38 Allowed 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.672 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -68.72 -37.89 79.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.256 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -106.27 -33.22 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.832 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 34.59 2.8 Favored Glycine 0 N--CA 1.463 0.455 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.98 54.71 0.66 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -81.47 171.19 15.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.43 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.0 mt -74.1 -23.57 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.86 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.19 72.86 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 12.6 t 46.42 90.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.674 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.08 103.92 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.39 57.89 9.75 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -59.56 0.78 0.59 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.07 -46.83 89.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.487 0.66 . . . . 0.0 110.152 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.51 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.6 p -70.59 -20.55 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -29.27 68.45 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.647 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 75.0 m -61.63 -50.03 74.2 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.243 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.689 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.03 -33.2 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.648 -0.821 . . . . 0.0 111.091 -178.079 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.562 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.9 m-80 -52.71 -32.24 41.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 15.2 t80 -58.14 -47.64 82.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.983 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -41.18 98.77 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.205 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.689 HE22 ' NE2' ' A' ' 30' ' ' GLN . 57.9 mt-30 -63.34 -43.89 96.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.72 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -89.21 -52.97 4.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -107.54 105.78 15.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.995 -1.002 . . . . 0.0 111.044 179.902 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.5 mt . . . . . 0 C--O 1.232 0.177 0 CA-C-O 121.28 0.562 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.8 166.8 32.0 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 20.1 ptmt -64.64 129.29 39.27 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.08 -20.61 0.11 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 76.8 mm-40 -68.64 -43.46 76.22 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -50.7 44.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.469 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.77 88.87 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.042 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.96 73.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.168 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.01 -45.27 94.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.349 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.52 -43.73 54.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.251 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.52 -42.28 99.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.999 -178.142 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.446 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.42 -39.71 88.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.388 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -63.48 0.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -67.05 -38.95 86.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.143 0.497 . . . . 0.0 110.403 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -106.67 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.65 45.24 0.16 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.69 138.94 10.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.44 158.9 39.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.705 0.288 . . . . 0.0 110.658 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.8 mt -71.86 -40.78 69.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -63.52 -22.65 66.02 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.433 ' O ' ' O ' ' A' ' 21' ' ' GLY . 12.2 t 54.32 110.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.986 0.422 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.0 105.17 0.82 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 48.5 71.52 0.57 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.95 -2.91 0.61 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.08 -48.6 81.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.388 0.613 . . . . 0.0 110.493 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.6 p -71.74 -19.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.7 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.965 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.57 -50.15 73.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.057 0.456 . . . . 0.0 111.23 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.675 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.51 -32.67 72.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.977 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.571 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 43.4 m-80 -53.65 -33.1 54.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.678 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.1 t80 -57.67 -46.81 83.76 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -62.92 -42.1 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.966 -178.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.675 HE22 ' NE2' ' A' ' 30' ' ' GLN . 52.0 mt-30 -64.34 -42.45 96.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.714 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -89.42 -53.95 4.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.6 m -107.26 106.36 16.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 110.287 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.487 179.561 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.9 mt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.955 0.407 . . . . 0.0 110.212 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -89.35 165.12 32.39 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.645 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.7 pttt -65.32 130.11 42.13 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.82 -19.7 0.11 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' A' ' 4' ' ' LYS . 88.1 mm-40 -67.82 -42.82 80.89 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -51.15 32.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.852 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.12 95.23 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.093 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.52 72.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.44 -43.83 98.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.973 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.17 37.13 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 119.844 -0.743 . . . . 0.0 110.291 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.1 tt -62.12 -43.63 98.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.225 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.45 -39.13 86.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.1 -9.57 1.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.838 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.03 86.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.303 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -93.1 -32.78 14.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.779 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.34 41.59 0.46 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.27 -177.0 25.51 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 p -151.34 -155.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.57 6.25 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.805 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 10.34 9.55 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 31.0 t 38.14 93.01 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.117 0 O-C-N 122.657 -0.319 . . . . 0.0 111.416 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.98 104.51 0.44 Allowed Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 126.9 -74.53 0.43 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . 54.98 -68.37 0.01 OUTLIER Glycine 0 C--O 1.227 -0.338 0 C-N-CA 123.531 0.586 . . . . 0.0 111.927 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -68.21 -49.96 57.31 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.811 0.815 . . . . 0.0 109.503 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.615 ' C ' HD22 ' A' ' 31' ' ' ASN . 6.7 m -73.32 -16.63 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.611 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -54.21 -36.38 63.4 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 121.972 -0.455 . . . . 0.0 110.846 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -62.93 -51.42 66.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.209 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.675 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -69.1 -37.87 78.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.665 -178.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.615 HD22 ' C ' ' A' ' 27' ' ' VAL . 48.3 m-80 -50.11 -31.14 12.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.348 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 21.1 t80 -58.3 -47.64 83.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.17 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -39.45 94.29 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.138 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.675 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.1 mt-30 -64.02 -44.45 92.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.524 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -88.84 -52.72 4.96 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -105.74 106.31 16.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.244 179.788 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.0 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.78 0.324 . . . . 0.0 110.461 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.28 165.14 20.44 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.5 pttm -65.26 129.92 41.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 65.94 -19.34 0.1 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.132 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 84.8 mm-40 -68.18 -42.56 79.78 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.76 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.21 97.1 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.098 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.31 75.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.713 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -43.91 29.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.511 178.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.2 tp -62.42 -45.16 94.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.635 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -30.78 71.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.437 0.637 . . . . 0.0 109.851 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -57.5 -24.31 55.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.891 178.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -68.7 -37.44 79.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.88 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.3 p -67.8 -32.84 73.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.33 3.99 Favored Glycine 0 N--CA 1.467 0.754 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.67 166.33 37.11 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -148.79 176.36 10.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.931 0.396 . . . . 0.0 110.648 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.13 -25.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.915 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.31 -16.52 4.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.4 t 44.26 94.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.858 0.361 . . . . 0.0 110.663 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.36 -103.14 0.22 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.643 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -124.53 14.29 7.71 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 52.3 -63.24 0.0 OUTLIER Glycine 0 C--N 1.34 0.798 0 O-C-N 124.51 0.771 . . . . 0.0 112.204 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -60.15 -44.68 94.8 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.896 0.855 . . . . 0.0 108.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.533 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 9.6 p -70.02 -23.1 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.294 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -59.41 -29.59 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.793 -0.567 . . . . 0.0 110.611 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 78.7 m -61.81 -49.36 76.64 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.779 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.664 HE22 HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.47 -34.64 76.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.931 -178.356 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.568 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 m-80 -49.5 -34.61 17.58 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.531 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.3 t80 -59.86 -45.47 92.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.312 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -60.02 -39.34 85.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.48 0.657 . . . . 0.0 109.287 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.664 HE22 HE22 ' A' ' 30' ' ' GLN . 53.3 mt-30 -71.07 -44.13 66.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.332 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.81 -51.09 6.29 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 5.1 m -107.88 105.53 15.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.62 179.934 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.864 0.364 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -85.95 165.32 37.96 Favored Glycine 0 CA--C 1.517 0.195 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.7 130.49 43.46 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.558 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.34 -20.02 0.14 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.031 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 4' ' ' LYS . 85.4 mm-40 -67.98 -42.62 80.56 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -69.29 -51.05 41.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.926 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.57 98.55 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.324 -0.551 . . . . 0.0 111.057 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.75 74.55 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.061 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.97 -42.29 98.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.215 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -43.44 34.04 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.099 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.91 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.542 -178.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -60.33 -39.67 87.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.273 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -57.91 -10.73 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.703 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -67.6 -37.93 83.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.977 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -106.97 -33.83 7.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.991 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.84 40.87 1.65 Allowed Glycine 0 CA--C 1.521 0.412 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -129.52 54.7 0.78 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -82.48 170.57 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.217 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.6 mt -74.09 -23.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.841 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.62 -34.08 88.97 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.6 t 44.47 90.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 110.682 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.18 105.83 0.84 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 27' ' ' VAL . . . 72.12 35.83 60.66 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.85 -5.27 0.88 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -63.96 -48.66 75.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.108 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 24' ' ' GLY . 17.0 m -71.49 -20.3 20.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.328 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -55.56 -32.94 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.569 -0.707 . . . . 0.0 110.952 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.574 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 80.5 m -62.56 -51.55 66.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.155 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.12 -35.58 76.55 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.148 -177.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 47.0 m-80 -48.09 -31.13 5.17 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.36 0.6 . . . . 0.0 109.999 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 33.3 t80 -59.89 -47.06 87.3 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.397 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.497 ' NH1' ' OXT' ' A' ' 37' ' ' ARG . 1.3 tpm_? -59.47 -42.48 92.16 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HG2' ' H ' ' A' ' 34' ' ' GLN . 5.3 mm-40 -65.13 -45.11 86.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.689 -1.142 . . . . 0.0 112.266 -178.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.25 -42.05 14.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.255 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' TYR . 20.4 m -101.53 105.02 15.94 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.218 0.532 . . . . 0.0 109.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.497 ' OXT' ' NH1' ' A' ' 33' ' ' ARG . 9.5 mpt_? . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.097 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt . . . . . 0 N--CA 1.454 -0.24 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -149.24 155.65 26.43 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 6' ' ' GLN . 13.0 ptpt -68.36 132.97 47.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.25 -16.81 0.15 Allowed 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.126 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.616 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.3 tp60 -67.4 -42.66 82.91 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.44 -53.39 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 113.85 -1.523 . . . . 0.0 112.334 -179.801 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.17 97.26 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.11 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -65.42 -32.99 74.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.138 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -63.76 -38.69 92.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.904 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -45.11 25.46 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.988 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -64.81 -43.45 93.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.847 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.694 ' NE2' ' H ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -64.8 -33.06 75.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.31 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 17.9 t -59.85 -18.98 48.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.467 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.06 89.69 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.407 0.622 . . . . 0.0 109.46 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 t -107.77 -29.62 9.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.836 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 73.3 51.71 9.6 Favored Glycine 0 CA--C 1.505 -0.574 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.01 -33.4 3.24 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 114.934 0.733 . . . . 0.0 114.934 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 20' ' ' ILE . 46.8 p -86.2 -113.27 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.594 0.711 . . . . 0.0 112.06 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.558 ' N ' ' OG1' ' A' ' 19' ' ' THR . 50.7 mt -72.89 -23.26 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 114.611 -1.177 . . . . 0.0 108.674 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.694 ' H ' ' NE2' ' A' ' 13' ' ' GLN . . . -67.05 -108.88 0.02 OUTLIER Glycine 0 CA--C 1.52 0.384 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.575 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.608 ' SG ' ' N ' ' A' ' 23' ' ' GLY . 40.8 t 49.07 169.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.297 0.57 . . . . 0.0 111.138 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.608 ' N ' ' SG ' ' A' ' 22' ' ' CYS . . . 46.45 77.95 0.09 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 70.6 21.45 77.74 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.551 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -58.35 3.04 0.14 Allowed Glycine 0 C--O 1.224 -0.48 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -56.9 -46.14 82.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.503 0.668 . . . . 0.0 109.956 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.517 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.0 p -70.13 -21.72 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -58.66 -29.57 66.68 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.56 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.8 m -62.96 -48.63 78.04 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.618 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.667 HE22 HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.35 -33.2 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.964 -178.144 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.566 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.3 m-80 -50.77 -31.13 15.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 15.7 t80 -57.97 -47.58 82.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -39.62 94.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.667 HE22 HE22 ' A' ' 30' ' ' GLN . 58.6 mt-30 -63.69 -43.79 95.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -87.54 -45.28 10.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.52 106.77 17.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.031 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.404 179.607 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 CA--C 1.517 -0.29 0 CA-C-O 121.506 0.67 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.74 166.46 36.76 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.5 pttt -64.46 129.79 41.22 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 65.85 -20.77 0.09 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.196 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.636 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.4 mp0 -68.61 -41.22 79.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -51.06 44.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.933 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.84 76.48 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.166 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.64 -42.62 97.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.95 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -40.47 41.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.174 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.49 -44.87 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.433 -177.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' A' ' 15' ' ' ALA . 32.8 mt-30 -60.93 -40.64 94.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.292 0.568 . . . . 0.0 109.74 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -58.0 -3.82 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.958 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.44 -37.1 79.95 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.883 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -104.92 -21.61 13.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.113 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 49.22 0.55 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.27 170.4 23.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -152.46 -172.59 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -72.72 -42.47 62.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.657 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -92.02 -5.4 66.07 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.853 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.463 ' O ' ' O ' ' A' ' 21' ' ' GLY . 12.5 t 53.15 113.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 159.21 101.61 0.17 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 52.92 56.43 18.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.92 -2.55 0.54 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.71 -48.75 80.38 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.494 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 8.0 p -73.66 -20.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -27.98 67.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 72.3 m -61.85 -50.52 71.93 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.23 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.694 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.76 -34.75 77.43 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.204 -177.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.564 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.6 m-80 -51.27 -33.91 30.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.735 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.7 t80 -58.14 -47.32 83.67 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.115 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.709 0.766 . . . . 0.0 109.539 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.694 HE22 ' NE2' ' A' ' 30' ' ' GLN . 56.0 mt-30 -63.42 -43.84 96.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.717 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -89.18 -53.05 4.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.74 106.03 15.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.121 0.486 . . . . 0.0 109.818 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.501 179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mp . . . . . 0 C--O 1.232 0.14 0 CA-C-O 121.177 0.513 . . . . 0.0 110.135 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -150.54 149.29 21.13 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.185 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.597 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.9 pttt -66.41 131.8 46.88 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.31 -18.51 0.13 Allowed 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.597 ' H ' ' C ' ' A' ' 4' ' ' LYS . 4.3 tp-100 -67.6 -42.32 82.64 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -51.32 36.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.157 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.3 80.46 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.043 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.22 -33.54 75.72 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.41 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.447 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 42.6 tp -62.8 -43.06 99.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.076 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -43.21 33.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.825 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.2 tt -61.48 -43.96 97.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.292 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.45 -38.93 85.71 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.263 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -62.45 -1.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -65.95 -38.01 87.49 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -103.67 -29.0 11.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.95 48.69 0.18 Allowed Glycine 0 N--CA 1.463 0.493 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.32 157.88 27.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.447 ' OG1' ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -155.52 148.13 24.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.517 ' CD1' HE22 ' A' ' 6' ' ' GLN . 75.1 mt -72.87 -36.85 53.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -67.31 -14.53 64.33 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.406 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLY . 13.0 t 51.59 106.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.39 100.42 0.16 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.602 ' O ' HG22 ' A' ' 27' ' ' VAL . . . 42.84 71.57 0.39 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -44.65 -19.14 0.14 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -64.96 -49.89 68.56 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.732 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' GLY . 20.7 m -72.07 -19.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.226 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -55.61 -32.54 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.783 -0.573 . . . . 0.0 111.044 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 84.8 m -63.45 -51.95 63.5 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.316 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.34 -34.88 75.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.195 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 45.1 m-80 -48.85 -31.73 7.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.194 0.521 . . . . 0.0 110.189 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.5 t80 -59.82 -47.68 84.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.746 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.475 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -59.33 -40.82 87.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.034 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.61 -42.47 86.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.8 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -88.54 -55.8 3.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.581 -0.448 . . . . 0.0 109.969 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.4 m -106.48 106.02 16.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.956 0.407 . . . . 0.0 110.082 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.358 179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.6 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.924 0.392 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.65 165.5 20.18 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 6' ' ' GLN . 18.1 pttp -65.81 130.61 43.87 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.65 -22.11 0.12 Allowed 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.616 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.8 mm-40 -68.1 -44.24 76.64 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.67 -51.78 31.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.773 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.82 92.74 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.119 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 5' ' ' ALA . . . -64.08 -32.19 73.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.312 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.02 -42.95 99.44 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.188 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -44.94 50.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.05 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.487 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -60.57 -31.94 71.04 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.17 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -61.71 -16.07 45.91 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.504 179.488 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -71.2 -41.91 69.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 t -111.48 -34.88 5.97 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.487 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . -138.03 -81.85 0.1 OUTLIER Glycine 0 CA--C 1.532 1.152 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.914 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 13' ' ' GLN . . . 139.17 -82.62 0.25 Allowed Glycine 0 N--CA 1.475 1.274 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.67 ' C ' ' H ' ' A' ' 21' ' ' GLY . 3.1 p -86.11 24.94 1.23 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.5 mt 62.85 -22.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 C-N-CA 122.725 0.41 . . . . 0.0 110.368 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.67 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -93.36 2.48 71.04 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.44 ' O ' ' O ' ' A' ' 21' ' ' GLY . 12.3 t 45.89 101.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 111.193 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.16 96.15 0.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 69.81 16.94 72.79 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.38 3.03 0.61 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.76 -46.54 90.07 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.527 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 9.6 p -71.0 -20.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.03 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 76.2 m -60.81 -51.1 70.77 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.002 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.648 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.89 -33.54 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.102 -177.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.551 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 53.2 m-80 -52.19 -32.98 38.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.132 0.491 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.0 t80 -57.86 -45.64 85.98 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.602 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.8 -42.19 97.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.651 0.738 . . . . 0.0 110.025 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.648 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.3 mt-30 -63.37 -42.06 98.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.694 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.74 -52.8 4.7 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.2 m -105.91 105.95 16.22 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.028 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.766 179.829 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.5 mt . . . . . 0 C--O 1.233 0.196 0 CA-C-O 120.849 0.357 . . . . 0.0 110.466 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -92.13 165.17 28.94 Favored Glycine 0 C--N 1.329 0.169 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.632 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.8 pttm -64.97 129.88 41.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.87 -20.46 0.13 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.02 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.632 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.6 mm-40 -68.85 -43.63 75.04 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -49.96 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.913 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -46.78 88.76 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.906 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -63.55 -31.28 72.39 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.096 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -43.4 47.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.171 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.96 -42.73 99.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.39 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -60.65 -38.17 83.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.077 -179.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -47.05 -37.5 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.356 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.963 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -68.81 -34.37 75.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.099 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.77 -39.42 0.15 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.96 -109.0 0.24 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.565 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -147.91 -161.08 1.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.33 -41.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 0.0 110.164 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -65.04 -29.73 76.13 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.447 ' O ' ' O ' ' A' ' 21' ' ' GLY . 13.3 t 56.26 120.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.432 . . . . 0.0 110.812 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.99 103.52 0.55 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 55.8 34.45 61.16 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -60.07 1.73 0.55 Allowed Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -58.5 -46.82 85.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.2 0.524 . . . . 0.0 110.212 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 12.2 p -70.26 -18.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.173 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -58.17 -29.42 65.59 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.231 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.5 m -60.56 -50.53 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.312 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.677 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.19 -33.59 74.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.82 -178.002 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.556 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 43.2 m-80 -52.84 -32.81 46.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.563 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 36' ' ' CYS . 18.3 t80 -57.18 -46.5 82.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.283 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.88 97.14 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.845 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.677 HE22 ' NE2' ' A' ' 30' ' ' GLN . 50.8 mt-30 -64.83 -41.65 95.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -89.26 -56.19 3.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -105.7 106.6 17.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.181 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.126 179.743 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 8.1 mt . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.997 0.427 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.02 164.96 11.2 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.647 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.12 131.45 46.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.5 -20.72 0.12 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.57 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.647 ' H ' ' C ' ' A' ' 4' ' ' LYS . 20.9 tm0? -66.99 -43.0 84.11 Favored 'General case' 0 N--CA 1.426 -1.635 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -70.83 -51.38 26.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.295 -1.32 . . . . 0.0 111.198 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.41 90.09 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.784 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.89 73.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.072 0.463 . . . . 0.0 110.088 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.91 -43.21 96.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.264 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -39.41 33.84 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.3 -43.44 98.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -39.31 93.38 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.804 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -60.81 -7.84 2.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.094 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.48 86.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.9 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -100.58 -24.46 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.2 45.64 0.62 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.38 170.5 23.28 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -150.85 170.99 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.71 -24.54 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -159.84 161.16 32.14 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 21' ' ' GLY . 61.6 m 57.35 157.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.363 -0.419 . . . . 0.0 110.036 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.7 -100.35 0.06 OUTLIER Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.586 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 60.81 -69.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 53.49 -68.66 0.0 OUTLIER Glycine 0 CA--C 1.507 -0.455 0 C-N-CA 124.049 0.833 . . . . 0.0 112.133 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -62.25 -48.54 79.49 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.806 0.812 . . . . 0.0 109.974 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.516 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 14.8 p -73.55 -19.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.377 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -58.46 -30.81 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.686 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 90.1 m -62.71 -48.77 77.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.202 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.547 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.46 -34.67 76.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.262 -177.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.547 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.1 m-80 -47.96 -31.22 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.126 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.42 -47.9 83.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.656 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -61.99 -41.44 98.03 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.504 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.403 ' OE1' ' NH2' ' A' ' 33' ' ' ARG . 8.0 mm-40 -62.89 -47.66 82.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.935 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -87.01 -49.6 7.22 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.853 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.9 m -103.81 106.17 16.6 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.571 -179.62 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.896 0.379 . . . . 0.0 110.169 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -93.58 165.8 27.51 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.622 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.9 pttm -65.74 129.92 41.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.88 -19.72 0.11 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.234 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.622 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.8 mm100 -68.51 -42.07 79.06 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -51.06 43.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.473 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.87 95.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.032 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.81 76.51 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.46 -42.34 95.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.086 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -41.56 42.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.064 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.528 ' O ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.5 -44.35 97.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.652 -178.042 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.48 ' C ' ' H ' ' A' ' 15' ' ' ALA . 24.3 mt-30 -61.59 -39.59 91.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.209 0.528 . . . . 0.0 109.767 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.65 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.86 -5.03 0.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.884 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -69.49 -37.34 77.19 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.999 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 p -106.4 -11.41 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.068 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 19.63 7.69 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.49 152.7 20.71 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.91 154.93 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.931 0.396 . . . . 0.0 111.1 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.8 mt -71.19 -40.72 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.84 -6.25 43.22 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 20.2 t 42.43 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.044 179.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.17 101.4 0.18 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.87 68.87 1.29 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.28 -2.05 0.57 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.98 -48.58 81.18 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.37 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.507 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.1 p -72.71 -20.17 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.55 68.05 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . 0.65 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.1 m -62.65 -49.84 73.57 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.16 -178.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.692 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.88 -32.8 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.235 -178.012 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.563 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 49.3 m-80 -52.81 -33.0 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.542 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 t80 -58.11 -47.57 82.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.997 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.77 98.29 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.239 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . 0.692 HE22 ' NE2' ' A' ' 30' ' ' GLN . 57.6 mt-30 -63.11 -44.1 96.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.857 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -89.31 -53.04 4.74 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.098 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.75 106.0 15.83 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.006 0.432 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.934 -1.031 . . . . 0.0 111.145 -179.943 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.8 mt . . . . . 0 C--O 1.232 0.149 0 CA-C-O 121.236 0.541 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.8 169.7 35.84 Favored Glycine 0 C--N 1.323 -0.148 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.3 pttm -65.19 129.85 41.21 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.84 -20.28 0.13 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.205 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -68.66 -44.19 74.63 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.11 -50.88 44.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.785 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.82 80.2 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.108 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.91 74.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.42 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.4 tp -63.2 -44.82 94.28 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.004 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -42.74 42.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.033 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.971 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -60.1 -38.63 83.51 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.063 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t -56.12 -11.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.66 78.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -105.35 -31.82 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.22 38.53 2.28 Favored Glycine 0 N--CA 1.463 0.486 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -129.49 56.86 0.73 Allowed Glycine 0 N--CA 1.465 0.588 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -81.7 174.27 11.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.924 0.392 . . . . 0.0 110.251 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.9 mt -73.83 -24.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.65 -31.55 81.27 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' CYS . . . . . . . . . . . . . 13.2 t 47.24 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 0.0 110.589 -179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.65 105.46 1.08 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 60.35 37.82 93.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.17 -4.32 0.47 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -62.72 -46.76 86.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 24' ' ' GLY . 5.2 m -67.68 -21.64 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.733 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -54.29 -29.69 48.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 111.194 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.6 m -58.86 -49.85 76.22 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.964 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 111.404 -178.343 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 30' ' ' GLN . 42.7 m-80 -60.01 -31.61 70.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.373 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 12.5 t80 -58.89 -42.5 89.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.477 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -41.58 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.108 -0.637 . . . . 0.0 109.539 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.69 -39.71 80.39 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.65 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -90.01 -55.72 3.51 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.065 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 6.3 m -103.8 106.47 16.99 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.021 0.439 . . . . 0.0 110.092 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.054 179.633 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.527 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.9 mt 56.68 3.83 0.14 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.823 0.344 . . . . 0.0 110.175 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -68.81 163.12 50.44 Favored Glycine 0 CA--C 1.517 0.218 0 N-CA-C 110.724 -0.95 . . . . 0.0 110.724 179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.627 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.6 pttm -65.0 130.02 41.82 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.35 -0.611 . . . . 0.0 109.35 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.32 -19.67 0.1 Allowed 'General case' 0 C--N 1.313 -0.98 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.195 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.627 ' H ' ' C ' ' A' ' 4' ' ' LYS . 80.1 mm-40 -68.04 -42.83 79.96 Favored 'General case' 0 N--CA 1.424 -1.737 0 N-CA-C 107.799 -1.186 . . . . 0.0 107.799 178.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -69.77 -51.46 33.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.219 -1.355 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.2 -44.46 96.53 Favored 'General case' 0 C--N 1.32 -0.677 0 C-N-CA 120.403 -0.519 . . . . 0.0 111.212 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.12 -32.62 74.25 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 115.925 -0.579 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.3 tp -61.96 -42.85 99.59 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.122 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.31 -43.04 34.51 Favored 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 119.965 -0.694 . . . . 0.0 110.116 178.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -63.09 -42.32 99.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.699 -178.291 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -61.2 -39.23 89.42 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.174 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.606 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.45 -11.23 1.79 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.793 179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -69.36 -38.01 77.88 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.714 -0.676 . . . . 0.0 110.023 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 5.8 p -106.64 -33.6 7.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.169 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.18 39.14 2.01 Favored Glycine 0 CA--C 1.521 0.437 0 N-CA-C 110.06 -1.216 . . . . 0.0 110.06 -179.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.98 52.08 0.83 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.458 -0.657 . . . . 0.0 111.458 -179.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 p -81.64 172.85 12.94 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.972 0.415 . . . . 0.0 110.32 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.442 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 60.7 mt -73.64 -23.97 19.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.924 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.46 -33.2 85.64 Favored Glycine 0 CA--C 1.523 0.56 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.455 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 10.8 t 47.63 100.95 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 120.837 0.351 . . . . 0.0 110.75 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 128.46 104.49 1.2 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.184 -0.766 . . . . 0.0 111.184 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.515 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 54.51 47.1 71.25 Favored Glycine 0 CA--C 1.523 0.552 0 N-CA-C 111.172 -0.771 . . . . 0.0 111.172 179.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.531 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.0 1.72 0.11 Allowed Glycine 0 CA--C 1.522 0.531 0 C-N-CA 121.036 -0.602 . . . . 0.0 111.609 -179.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.515 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.43 -46.33 90.42 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.083 -0.647 . . . . 0.0 110.224 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.483 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.7 p -70.49 -21.05 22.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.173 -0.921 . . . . 0.0 111.062 -179.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.424 ' HA ' HD22 ' A' ' 31' ' ' ASN . . . -58.38 -28.23 64.97 Favored 'General case' 0 C--N 1.323 -0.578 0 C-N-CA 120.253 -0.579 . . . . 0.0 110.808 -179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.606 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 74.5 m -61.68 -51.03 70.08 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.241 -0.584 . . . . 0.0 111.89 -178.627 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.566 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.77 -33.12 73.35 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 119.6 -0.84 . . . . 0.0 110.94 -178.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.566 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 44.7 m-80 -48.85 -32.78 9.38 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.206 0.527 . . . . 0.0 109.778 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.87 -47.81 84.24 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.911 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.444 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -58.07 -41.84 84.23 Favored 'General case' 0 C--N 1.329 -0.313 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 -179.256 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 -66.88 -42.82 84.93 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.182 -0.917 . . . . 0.0 111.582 -179.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 25.1 m-85 -86.99 -56.65 3.29 Favored 'General case' 0 CA--C 1.516 -0.356 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.065 -178.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.542 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.5 m -107.55 105.79 15.85 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 117.998 -1.001 . . . . 0.0 110.347 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.455 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.546 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 47.9 mt 58.31 0.91 0.14 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.842 0.353 . . . . 0.0 110.276 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.546 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -74.44 162.55 54.14 Favored Glycine 0 CA--C 1.518 0.269 0 N-CA-C 110.354 -1.098 . . . . 0.0 110.354 179.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.6 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.1 ptpt -65.43 130.53 43.66 Favored 'General case' 0 N--CA 1.443 -0.802 0 C-N-CA 120.28 -0.568 . . . . 0.0 109.594 179.536 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.26 -20.32 0.14 Allowed 'General case' 0 C--N 1.313 -1.016 0 C-N-CA 120.628 -0.429 . . . . 0.0 110.245 179.178 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.6 ' H ' ' C ' ' A' ' 4' ' ' LYS . 10.9 mm100 -67.69 -42.16 82.5 Favored 'General case' 0 N--CA 1.426 -1.652 0 N-CA-C 107.467 -1.309 . . . . 0.0 107.467 178.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 42.1 t -69.7 -51.04 37.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 114.399 -1.273 . . . . 0.0 111.144 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.82 99.58 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.312 -0.555 . . . . 0.0 110.784 -179.261 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.53 -34.14 77.53 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.942 179.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.74 -42.66 97.78 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.97 -0.559 . . . . 0.0 109.874 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -40.55 44.49 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 119.855 -0.738 . . . . 0.0 110.132 178.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.67 -44.33 97.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.594 -178.084 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.47 ' C ' ' H ' ' A' ' 15' ' ' ALA . 25.7 mt-30 -61.95 -40.4 95.42 Favored 'General case' 0 N--CA 1.448 -0.568 0 CA-C-O 121.239 0.542 . . . . 0.0 110.012 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.642 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -56.58 -6.65 0.32 Allowed 'General case' 0 C--N 1.318 -0.792 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.732 179.848 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.47 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.56 -37.16 79.67 Favored 'General case' 0 C--N 1.317 -0.836 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.025 179.755 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 9.4 p -105.23 -21.21 13.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.378 -0.828 . . . . 0.0 111.034 -179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.53 46.41 0.57 Allowed Glycine 0 N--CA 1.463 0.462 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -128.51 147.26 17.41 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 -179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -156.61 161.86 39.9 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.866 0.365 . . . . 0.0 111.21 179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -71.47 -40.97 72.88 Favored 'Isoleucine or valine' 0 N--CA 1.461 0.114 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -62.27 -21.77 62.37 Favored Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.452 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 11.1 t 52.73 107.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.851 0.358 . . . . 0.0 110.708 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 141.76 103.78 0.51 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.485 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.95 68.43 1.49 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.999 -0.841 . . . . 0.0 110.999 179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.515 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.41 -1.88 0.36 Allowed Glycine 0 CA--C 1.524 0.628 0 C-N-CA 120.832 -0.699 . . . . 0.0 111.468 -179.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.485 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.1 -48.69 80.52 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 119.556 -0.858 . . . . 0.0 110.337 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.517 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.5 p -72.6 -20.07 19.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.158 -0.928 . . . . 0.0 111.007 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.45 -28.65 68.47 Favored 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.882 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.642 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 77.5 m -63.63 -48.73 76.11 Favored 'General case' 0 N--CA 1.45 -0.471 0 C-N-CA 120.174 -0.611 . . . . 0.0 111.425 -178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.66 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.78 -34.87 77.64 Favored 'General case' 0 C--N 1.322 -0.608 0 C-N-CA 119.801 -0.76 . . . . 0.0 111.02 -178.049 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.565 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.0 m-80 -50.44 -33.74 22.12 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.617 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.504 ' O ' ' N ' ' A' ' 36' ' ' CYS . 27.8 t80 -58.07 -45.97 86.23 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.94 -179.497 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.531 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.2 OUTLIER -62.57 -41.23 98.8 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 119.811 -0.755 . . . . 0.0 109.003 179.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.66 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.2 mt-30 -63.85 -45.2 90.58 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.021 -178.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -87.66 -50.65 6.36 Favored 'General case' 0 CA--C 1.515 -0.367 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 -179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.504 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -106.39 105.85 16.08 Favored 'General case' 0 N--CA 1.45 -0.435 0 CA-C-O 121.134 0.492 . . . . 0.0 110.063 179.575 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.641 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.452 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.553 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.282 0 N-CA-C 109.47 -1.452 . . . . 0.0 109.47 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 41.9 mt 57.95 0.83 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 0.0 110.287 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.553 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -85.18 164.15 38.28 Favored Glycine 0 CA--C 1.518 0.255 0 N-CA-C 110.527 -1.029 . . . . 0.0 110.527 179.565 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 6' ' ' GLN . 11.5 ptpt -65.73 130.39 43.1 Favored 'General case' 0 N--CA 1.445 -0.682 0 C-N-CA 120.183 -0.607 . . . . 0.0 109.603 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.87 -20.92 0.15 Allowed 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.084 179.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 4' ' ' LYS . 86.7 mm-40 -68.32 -43.48 77.5 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.144 -1.058 . . . . 0.0 108.144 179.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -69.42 -51.39 36.89 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 114.352 -1.294 . . . . 0.0 110.675 179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.2 -45.39 93.32 Favored 'General case' 0 C--N 1.318 -0.776 0 C-N-CA 120.178 -0.609 . . . . 0.0 111.115 -179.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.92 -33.88 76.71 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.165 -179.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 37.6 tp -60.28 -42.1 94.74 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.051 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -43.18 36.08 Favored 'General case' 0 C--O 1.234 0.271 0 C-N-CA 119.776 -0.77 . . . . 0.0 110.248 178.288 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.521 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.93 -44.23 97.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.704 -177.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 30.9 mt-30 -60.13 -40.05 88.39 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.363 0.601 . . . . 0.0 109.982 179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.647 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -55.53 -13.12 1.38 Allowed 'General case' 0 C--N 1.313 -1.002 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.672 179.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -68.72 -37.89 79.81 Favored 'General case' 0 C--N 1.316 -0.865 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.256 179.683 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.6 m -106.27 -33.22 7.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.832 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.69 34.59 2.8 Favored Glycine 0 N--CA 1.463 0.455 0 N-CA-C 110.138 -1.185 . . . . 0.0 110.138 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -120.98 54.71 0.66 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.562 -0.615 . . . . 0.0 111.562 -179.552 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -81.47 171.19 15.02 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.957 0.408 . . . . 0.0 110.425 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.43 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.0 mt -74.1 -23.57 18.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.893 -0.594 . . . . 0.0 109.86 -179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.57 -29.19 72.86 Favored Glycine 0 CA--C 1.523 0.539 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.447 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.6 t 46.42 90.1 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.858 0.361 . . . . 0.0 110.674 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.08 103.92 0.48 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.887 -0.885 . . . . 0.0 110.887 179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.477 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.39 57.89 9.75 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.235 -0.746 . . . . 0.0 111.235 179.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.509 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -59.56 0.78 0.59 Allowed Glycine 0 CA--C 1.523 0.555 0 N-CA-C 111.095 -0.802 . . . . 0.0 111.095 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.477 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -61.07 -46.83 89.07 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.487 0.66 . . . . 0.0 110.152 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.51 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.6 p -70.59 -20.55 22.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.165 -0.925 . . . . 0.0 111.175 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.07 -29.27 68.45 Favored 'General case' 0 C--N 1.329 -0.326 0 C-N-CA 120.26 -0.576 . . . . 0.0 110.55 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.647 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 75.0 m -61.63 -50.03 74.2 Favored 'General case' 0 N--CA 1.446 -0.672 0 C-N-CA 120.03 -0.668 . . . . 0.0 111.243 -178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.689 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.03 -33.2 74.14 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 119.648 -0.821 . . . . 0.0 111.091 -178.079 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.562 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.9 m-80 -52.71 -32.24 41.77 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.539 179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 15.2 t80 -58.14 -47.64 82.69 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.983 -179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.57 -41.18 98.77 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.66 -0.816 . . . . 0.0 109.205 -179.313 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.689 HE22 ' NE2' ' A' ' 30' ' ' GLN . 57.9 mt-30 -63.34 -43.89 96.45 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 114.71 -1.132 . . . . 0.0 111.72 -178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 -89.21 -52.97 4.78 Favored 'General case' 0 CA--C 1.516 -0.36 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 -179.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -107.54 105.78 15.84 Favored 'General case' 0 N--CA 1.452 -0.363 0 CA-C-O 121.125 0.488 . . . . 0.0 110.001 179.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 35.9 ptt180 . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 117.995 -1.002 . . . . 0.0 111.044 179.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.447 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.449 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.323 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.449 ' O ' ' O ' ' A' ' 1' ' ' GLY . 4.5 mt 49.37 102.96 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.28 0.562 . . . . 0.0 110.411 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -153.8 166.8 32.0 Favored Glycine 0 CA--C 1.519 0.336 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 20.1 ptmt -64.64 129.29 39.27 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.477 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.08 -20.61 0.11 Allowed 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.178 179.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 76.8 mm-40 -68.64 -43.46 76.22 Favored 'General case' 0 N--CA 1.421 -1.886 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.25 -50.7 44.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 114.636 -1.166 . . . . 0.0 110.469 179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.34 -46.77 88.87 Favored 'General case' 0 C--N 1.318 -0.764 0 C-N-CA 120.358 -0.537 . . . . 0.0 111.042 -179.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.01 -31.96 73.33 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.168 -179.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.5 tp -62.01 -45.27 94.34 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.337 -0.545 . . . . 0.0 110.349 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -74.52 -43.73 54.54 Favored 'General case' 0 N--CA 1.45 -0.448 0 C-N-CA 119.604 -0.838 . . . . 0.0 110.251 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.537 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.52 -42.28 99.41 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.999 -178.142 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.446 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.42 -39.71 88.42 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.388 -179.7 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' O ' ' SG ' ' A' ' 14' ' ' CYS . 42.8 t -63.48 0.25 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.885 179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -67.05 -38.95 86.76 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.143 0.497 . . . . 0.0 110.403 179.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 t -106.67 -25.84 11.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 130.65 45.24 0.16 Allowed Glycine 0 CA--C 1.523 0.54 0 N-CA-C 110.565 -1.014 . . . . 0.0 110.565 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -126.69 138.94 10.94 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.775 -0.93 . . . . 0.0 110.775 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -155.44 158.9 39.33 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.705 0.288 . . . . 0.0 110.658 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 72.8 mt -71.86 -40.78 69.26 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.136 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.433 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -63.52 -22.65 66.02 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 111.265 -0.734 . . . . 0.0 111.265 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.449 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.2 t 54.32 110.78 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.986 0.422 . . . . 0.0 110.78 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.0 105.17 0.82 Allowed Glycine 0 CA--C 1.523 0.536 0 N-CA-C 110.765 -0.934 . . . . 0.0 110.765 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.48 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 48.5 71.52 0.57 Allowed Glycine 0 CA--C 1.522 0.495 0 N-CA-C 110.912 -0.875 . . . . 0.0 110.912 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.496 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.95 -2.91 0.61 Allowed Glycine 0 CA--C 1.522 0.481 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 -179.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.08 -48.6 81.02 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.388 0.613 . . . . 0.0 110.493 -179.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.46 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 7.6 p -71.74 -19.35 20.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.637 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.64 -29.7 68.21 Favored 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.512 -0.475 . . . . 0.0 110.965 -179.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 72.4 m -61.57 -50.15 73.78 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-O 121.057 0.456 . . . . 0.0 111.23 -179.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.675 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.51 -32.67 72.81 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 119.677 -0.809 . . . . 0.0 110.977 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.571 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 43.4 m-80 -53.65 -33.1 54.06 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.678 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.1 t80 -57.67 -46.81 83.76 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.421 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.4 HH11 ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -62.92 -42.1 99.69 Favored 'General case' 0 C--N 1.325 -0.46 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.966 -178.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.675 HE22 ' NE2' ' A' ' 30' ' ' GLN . 52.0 mt-30 -64.34 -42.45 96.24 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.16 -0.927 . . . . 0.0 111.714 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -89.42 -53.95 4.31 Favored 'General case' 0 CA--C 1.516 -0.348 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 -179.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.534 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.6 m -107.26 106.36 16.77 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 121.074 0.464 . . . . 0.0 110.287 179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 117.947 -1.025 . . . . 0.0 110.487 179.561 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.449 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.9 mt 58.06 1.32 0.14 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.955 0.407 . . . . 0.0 110.212 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.531 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -89.35 165.12 32.39 Favored Glycine 0 CA--C 1.518 0.278 0 N-CA-C 110.968 -0.853 . . . . 0.0 110.968 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.645 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.7 pttt -65.32 130.11 42.13 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 179.803 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.464 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.82 -19.7 0.11 Allowed 'General case' 0 C--N 1.314 -0.97 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.082 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.645 ' H ' ' C ' ' A' ' 4' ' ' LYS . 88.1 mm-40 -67.82 -42.82 80.89 Favored 'General case' 0 N--CA 1.424 -1.734 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 178.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -70.34 -51.15 32.21 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 114.507 -1.224 . . . . 0.0 110.852 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.79 -45.12 95.23 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.152 -0.619 . . . . 0.0 111.093 -179.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.8 -31.52 72.73 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.027 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.44 -43.83 98.19 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.973 -179.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.43 -42.17 37.13 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 119.844 -0.743 . . . . 0.0 110.291 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.613 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.1 tt -62.12 -43.63 98.42 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.225 -178.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -60.45 -39.13 86.41 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.238 179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 1.5 t -58.1 -9.57 1.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.459 -0.496 . . . . 0.0 110.838 179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.29 -38.03 86.83 Favored 'General case' 0 C--N 1.317 -0.816 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.303 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 32.5 t -93.1 -32.78 14.32 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.779 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 122.34 41.59 0.46 Allowed Glycine 0 CA--C 1.523 0.559 0 N-CA-C 110.33 -1.108 . . . . 0.0 110.33 -179.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -152.27 -177.0 25.51 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.296 -0.722 . . . . 0.0 111.296 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 40.6 p -151.34 -155.51 0.63 Allowed 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 1.3 pp -132.57 6.25 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.371 0 CA-C-N 116.061 -0.518 . . . . 0.0 109.805 -179.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -121.96 10.34 9.55 Favored Glycine 0 CA--C 1.531 1.082 0 N-CA-C 111.369 -0.693 . . . . 0.0 111.369 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.418 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 31.0 t 38.14 93.01 0.01 OUTLIER 'General case' 0 CA--C 1.528 0.117 0 O-C-N 122.657 -0.319 . . . . 0.0 111.416 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 144.98 104.51 0.44 Allowed Glycine 0 CA--C 1.522 0.471 0 N-CA-C 111.404 -0.678 . . . . 0.0 111.404 179.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.589 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 126.9 -74.53 0.43 Allowed Glycine 0 CA--C 1.528 0.855 0 N-CA-C 111.526 -0.63 . . . . 0.0 111.526 179.131 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . 54.98 -68.37 0.01 OUTLIER Glycine 0 C--O 1.227 -0.338 0 C-N-CA 123.531 0.586 . . . . 0.0 111.927 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.589 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -68.21 -49.96 57.31 Favored 'General case' 0 C--N 1.305 -1.369 0 CA-C-O 121.811 0.815 . . . . 0.0 109.503 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.615 ' C ' HD22 ' A' ' 31' ' ' ASN . 6.7 m -73.32 -16.63 17.52 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 CA-C-N 114.691 -1.141 . . . . 0.0 109.611 178.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -54.21 -36.38 63.4 Favored 'General case' 0 CA--C 1.513 -0.446 0 O-C-N 121.972 -0.455 . . . . 0.0 110.846 -179.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 65.9 m -62.93 -51.42 66.99 Favored 'General case' 0 C--N 1.323 -0.566 0 C-N-CA 119.107 -1.037 . . . . 0.0 111.209 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.675 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -69.1 -37.87 78.64 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.665 -178.388 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.615 HD22 ' C ' ' A' ' 27' ' ' VAL . 48.3 m-80 -50.11 -31.14 12.59 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.348 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 21.1 t80 -58.3 -47.64 83.03 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.945 -0.57 . . . . 0.0 112.17 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.78 -39.45 94.29 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 119.852 -0.739 . . . . 0.0 109.138 -179.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.675 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.1 mt-30 -64.02 -44.45 92.54 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 114.833 -1.076 . . . . 0.0 111.524 -178.854 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -88.84 -52.72 4.96 Favored 'General case' 0 CA--C 1.518 -0.269 0 N-CA-C 109.978 -0.379 . . . . 0.0 109.978 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -105.74 106.31 16.76 Favored 'General case' 0 N--CA 1.452 -0.349 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.1 ttt180 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.932 -1.032 . . . . 0.0 110.244 179.788 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.418 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.554 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.251 0 N-CA-C 109.52 -1.432 . . . . 0.0 109.52 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 42.0 mt 57.73 0.38 0.11 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.78 0.324 . . . . 0.0 110.461 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.554 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -99.28 165.14 20.44 Favored Glycine 0 N--CA 1.46 0.282 0 N-CA-C 110.625 -0.99 . . . . 0.0 110.625 179.771 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.635 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.5 pttm -65.26 129.92 41.47 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 109.479 -0.563 . . . . 0.0 109.479 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.44 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 65.94 -19.34 0.1 Allowed 'General case' 0 C--N 1.314 -0.958 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.132 179.712 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.635 ' H ' ' C ' ' A' ' 4' ' ' LYS . 84.8 mm-40 -68.18 -42.56 79.78 Favored 'General case' 0 N--CA 1.425 -1.675 0 N-CA-C 107.515 -1.291 . . . . 0.0 107.515 178.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.69 -50.76 48.4 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 113.886 -1.506 . . . . 0.0 111.095 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.17 -44.21 97.1 Favored 'General case' 0 C--N 1.319 -0.728 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.098 -179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.72 -33.31 75.35 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.032 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 tp -61.04 -43.38 98.97 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.713 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.74 -43.91 29.42 Favored 'General case' 0 CA--C 1.534 0.34 0 C-N-CA 120.027 -0.669 . . . . 0.0 110.511 178.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.405 ' O ' ' HB3' ' A' ' 15' ' ' ALA . 3.2 tp -62.42 -45.16 94.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.635 -178.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -64.48 -30.78 71.81 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.437 0.637 . . . . 0.0 109.851 -179.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.617 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.6 OUTLIER -57.5 -24.31 55.15 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.891 178.774 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -68.7 -37.44 79.52 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.88 179.606 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 97.3 p -67.8 -32.84 73.68 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.755 -179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 125.03 12.33 3.99 Favored Glycine 0 N--CA 1.467 0.754 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.67 166.33 37.11 Favored Glycine 0 CA--C 1.52 0.4 0 N-CA-C 110.428 -1.069 . . . . 0.0 110.428 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.1 p -148.79 176.36 10.45 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-O 120.931 0.396 . . . . 0.0 110.648 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 63.5 mt -73.13 -25.28 21.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.915 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.31 -16.52 4.87 Favored Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.802 -0.919 . . . . 0.0 110.802 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.455 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.4 t 44.26 94.39 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.858 0.361 . . . . 0.0 110.663 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -154.36 -103.14 0.22 Allowed Glycine 0 CA--C 1.521 0.46 0 N-CA-C 110.655 -0.978 . . . . 0.0 110.655 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.643 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -124.53 14.29 7.71 Favored Glycine 0 CA--C 1.526 0.756 0 N-CA-C 111.043 -0.823 . . . . 0.0 111.043 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.542 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . 52.3 -63.24 0.0 OUTLIER Glycine 0 C--N 1.34 0.798 0 O-C-N 124.51 0.771 . . . . 0.0 112.204 179.285 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.643 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -60.15 -44.68 94.8 Favored 'General case' 0 C--N 1.302 -1.471 0 CA-C-O 121.896 0.855 . . . . 0.0 108.708 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.533 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 9.6 p -70.02 -23.1 25.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 114.342 -1.299 . . . . 0.0 111.294 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.443 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -59.41 -29.59 67.86 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 121.793 -0.567 . . . . 0.0 110.611 -179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.617 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 78.7 m -61.81 -49.36 76.64 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.257 -0.577 . . . . 0.0 111.779 -178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.664 HE22 HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.47 -34.64 76.29 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.039 -0.664 . . . . 0.0 110.931 -178.356 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.568 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.4 m-80 -49.5 -34.61 17.58 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.531 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.3 t80 -59.86 -45.47 92.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.312 179.076 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 20.9 mtp-105 -60.02 -39.34 85.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.48 0.657 . . . . 0.0 109.287 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.664 HE22 HE22 ' A' ' 30' ' ' GLN . 53.3 mt-30 -71.07 -44.13 66.36 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 114.818 -1.083 . . . . 0.0 112.332 -178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 31.1 m-85 -86.81 -51.09 6.29 Favored 'General case' 0 CA--C 1.515 -0.386 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 -179.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.531 ' N ' ' O ' ' A' ' 32' ' ' TYR . 5.1 m -107.88 105.53 15.38 Favored 'General case' 0 N--CA 1.45 -0.462 0 N-CA-C 109.779 -0.452 . . . . 0.0 109.779 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.62 179.934 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.455 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.275 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt 58.24 1.1 0.15 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.864 0.364 . . . . 0.0 110.152 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -85.95 165.32 37.96 Favored Glycine 0 CA--C 1.517 0.195 0 N-CA-C 110.539 -1.025 . . . . 0.0 110.539 179.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.608 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.7 130.49 43.46 Favored 'General case' 0 N--CA 1.442 -0.832 0 C-N-CA 120.248 -0.581 . . . . 0.0 109.558 179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 68.34 -20.02 0.14 Allowed 'General case' 0 C--N 1.311 -1.077 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.031 179.159 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.608 ' H ' ' C ' ' A' ' 4' ' ' LYS . 85.4 mm-40 -67.98 -42.62 80.56 Favored 'General case' 0 N--CA 1.424 -1.775 0 N-CA-C 107.787 -1.19 . . . . 0.0 107.787 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.5 t -69.29 -51.05 41.1 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 114.204 -1.362 . . . . 0.0 110.926 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.12 -43.57 98.55 Favored 'General case' 0 C--N 1.321 -0.652 0 C-N-CA 120.324 -0.551 . . . . 0.0 111.057 -179.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.64 -32.75 74.55 Favored 'General case' 0 C--N 1.317 -0.842 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.061 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.97 -42.29 98.96 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.215 -179.615 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.13 -43.44 34.04 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 120.005 -0.678 . . . . 0.0 110.099 178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.489 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.91 -42.76 99.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.542 -178.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 18' ' ' GLY . 0.3 OUTLIER -60.33 -39.67 87.92 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.273 179.907 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.574 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.9 OUTLIER -57.91 -10.73 1.89 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.703 179.809 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -67.6 -37.93 83.27 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.904 -0.589 . . . . 0.0 109.977 179.5 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.1 t -106.97 -33.83 7.38 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.48 -0.782 . . . . 0.0 110.991 179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 107.84 40.87 1.65 Allowed Glycine 0 CA--C 1.521 0.412 0 N-CA-C 109.932 -1.267 . . . . 0.0 109.932 -179.631 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.438 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -129.52 54.7 0.78 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 111.6 -0.6 . . . . 0.0 111.6 -179.415 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.0 p -82.48 170.57 15.09 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.217 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.431 ' CD1' ' OE1' ' A' ' 6' ' ' GLN . 62.6 mt -74.09 -23.84 18.93 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.841 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.62 -34.08 88.97 Favored Glycine 0 CA--C 1.521 0.466 0 N-CA-C 111.166 -0.773 . . . . 0.0 111.166 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.448 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.6 t 44.47 90.19 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 120.812 0.339 . . . . 0.0 110.682 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.18 105.83 0.84 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.044 -0.822 . . . . 0.0 111.044 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.582 ' O ' HG22 ' A' ' 27' ' ' VAL . . . 72.12 35.83 60.66 Favored Glycine 0 CA--C 1.523 0.549 0 N-CA-C 111.222 -0.751 . . . . 0.0 111.222 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.85 -5.27 0.88 Allowed Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.278 -0.729 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.421 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -63.96 -48.66 75.58 Favored 'General case' 0 C--N 1.324 -0.537 0 C-N-CA 119.291 -0.964 . . . . 0.0 109.108 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.582 HG22 ' O ' ' A' ' 24' ' ' GLY . 17.0 m -71.49 -20.3 20.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 114.809 -1.087 . . . . 0.0 111.328 179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.455 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -55.56 -32.94 63.43 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 121.569 -0.707 . . . . 0.0 110.952 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.574 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 80.5 m -62.56 -51.55 66.91 Favored 'General case' 0 N--CA 1.444 -0.751 0 C-N-CA 119.459 -0.896 . . . . 0.0 111.155 -179.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.53 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.12 -35.58 76.55 Favored 'General case' 0 C--N 1.323 -0.582 0 C-N-CA 119.815 -0.754 . . . . 0.0 111.148 -177.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.577 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 47.0 m-80 -48.09 -31.13 5.17 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-O 121.36 0.6 . . . . 0.0 109.999 -179.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.455 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 33.3 t80 -59.89 -47.06 87.3 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.185 -0.916 . . . . 0.0 112.397 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.497 ' NH1' ' OXT' ' A' ' 37' ' ' ARG . 1.3 tpm_? -59.47 -42.48 92.16 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 119.664 -0.814 . . . . 0.0 109.039 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.402 ' HG2' ' H ' ' A' ' 34' ' ' GLN . 5.3 mm-40 -65.13 -45.11 86.41 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 114.689 -1.142 . . . . 0.0 112.266 -178.527 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -86.25 -42.05 14.1 Favored 'General case' 0 CA--C 1.513 -0.471 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.255 -178.159 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.413 ' N ' ' O ' ' A' ' 32' ' ' TYR . 20.4 m -101.53 105.02 15.94 Favored 'General case' 0 N--CA 1.443 -0.82 0 CA-C-O 121.218 0.532 . . . . 0.0 109.895 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.497 ' OXT' ' NH1' ' A' ' 33' ' ' ARG . 9.5 mpt_? . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.097 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.448 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.579 ' N ' ' SG ' ' A' ' 7' ' ' CYS . . . . . . . . 0 N--CA 1.49 2.236 0 N-CA-C 109.338 -1.505 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.1 mt 59.42 4.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.687 -0.486 . . . . 0.0 109.687 179.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.478 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -149.24 155.65 26.43 Favored Glycine 0 CA--C 1.521 0.467 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.572 -179.543 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 6' ' ' GLN . 13.0 ptpt -68.36 132.97 47.99 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.273 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.52 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.25 -16.81 0.15 Allowed 'General case' 0 C--N 1.307 -1.273 0 C-N-CA 119.91 -0.716 . . . . 0.0 110.126 179.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.616 ' H ' ' C ' ' A' ' 4' ' ' LYS . 16.3 tp60 -67.4 -42.66 82.91 Favored 'General case' 0 N--CA 1.426 -1.64 0 N-CA-C 106.444 -1.687 . . . . 0.0 106.444 178.611 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.579 ' SG ' ' N ' ' A' ' 1' ' ' GLY . 0.5 OUTLIER -71.44 -53.39 14.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 113.85 -1.523 . . . . 0.0 112.334 -179.801 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.82 -44.17 97.26 Favored 'General case' 0 C--N 1.318 -0.803 0 C-N-CA 120.322 -0.551 . . . . 0.0 111.11 -178.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.452 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -65.42 -32.99 74.91 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.138 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 33.0 tp -63.76 -38.69 92.06 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.904 -179.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -77.79 -45.11 25.46 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 119.717 -0.793 . . . . 0.0 109.988 178.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -64.81 -43.45 93.11 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.847 -178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.694 ' NE2' ' H ' ' A' ' 21' ' ' GLY . 0.0 OUTLIER -64.8 -33.06 75.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.31 -178.918 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.551 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 17.9 t -59.85 -18.98 48.38 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.467 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.42 -38.06 89.69 Favored 'General case' 0 C--N 1.314 -0.957 0 CA-C-O 121.407 0.622 . . . . 0.0 109.46 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 11.8 t -107.77 -29.62 9.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.006 -0.997 . . . . 0.0 109.836 178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 73.3 51.71 9.6 Favored Glycine 0 CA--C 1.505 -0.574 0 N-CA-C 107.699 -2.16 . . . . 0.0 107.699 -178.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -107.01 -33.4 3.24 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 114.934 0.733 . . . . 0.0 114.934 -176.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.558 ' OG1' ' N ' ' A' ' 20' ' ' ILE . 46.8 p -86.2 -113.27 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.594 0.711 . . . . 0.0 112.06 -177.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.558 ' N ' ' OG1' ' A' ' 19' ' ' THR . 50.7 mt -72.89 -23.26 20.31 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.652 0 CA-C-N 114.611 -1.177 . . . . 0.0 108.674 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.694 ' H ' ' NE2' ' A' ' 13' ' ' GLN . . . -67.05 -108.88 0.02 OUTLIER Glycine 0 CA--C 1.52 0.384 0 C-N-CA 119.951 -1.119 . . . . 0.0 110.575 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.436 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 40.8 t 49.07 169.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.297 0.57 . . . . 0.0 111.138 179.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.805 ' N ' ' C1 ' ' A' ' 101' ' ' BGC . . . 46.45 77.95 0.09 OUTLIER Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.489 -0.644 . . . . 0.0 111.489 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.54 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 70.6 21.45 77.74 Favored Glycine 0 CA--C 1.521 0.416 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 179.676 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.551 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -58.35 3.04 0.14 Allowed Glycine 0 C--O 1.224 -0.48 0 N-CA-C 111.225 -0.75 . . . . 0.0 111.225 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.54 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -56.9 -46.14 82.15 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.503 0.668 . . . . 0.0 109.956 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.517 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 11.0 p -70.13 -21.72 23.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.858 -179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.401 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -58.66 -29.57 66.68 Favored 'General case' 0 C--N 1.322 -0.617 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.56 -179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.524 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.8 m -62.96 -48.63 78.04 Favored 'General case' 0 N--CA 1.446 -0.631 0 C-N-CA 119.765 -0.774 . . . . 0.0 111.618 -179.065 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.667 HE22 HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.35 -33.2 74.73 Favored 'General case' 0 C--N 1.324 -0.505 0 C-N-CA 119.542 -0.863 . . . . 0.0 110.964 -178.144 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.566 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 50.3 m-80 -50.77 -31.13 15.91 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.316 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD1' ' C ' ' A' ' 32' ' ' TYR . 15.7 t80 -57.97 -47.58 82.54 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.086 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.99 -39.62 94.54 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -179.397 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.667 HE22 HE22 ' A' ' 30' ' ' GLN . 58.6 mt-30 -63.69 -43.79 95.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 114.676 -1.147 . . . . 0.0 112.201 -178.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.0 m-85 -87.54 -45.28 10.6 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -103.52 106.77 17.37 Favored 'General case' 0 N--CA 1.453 -0.301 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.031 179.8 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 . . . . . 0 C--O 1.217 -0.631 0 CA-C-O 117.829 -1.081 . . . . 0.0 110.404 179.607 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.436 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.398 0 N-CA-C 109.42 -1.472 . . . . 0.0 109.42 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.2 mp 43.31 68.23 0.54 Allowed 'General case' 0 CA--C 1.517 -0.29 0 CA-C-O 121.506 0.67 . . . . 0.0 110.362 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -162.74 166.46 36.76 Favored Glycine 0 C--N 1.319 -0.396 0 CA-C-N 114.851 -1.068 . . . . 0.0 111.164 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.636 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.5 pttt -64.46 129.79 41.22 Favored 'General case' 0 C--N 1.319 -0.76 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.444 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 65.85 -20.77 0.09 Allowed 'General case' 0 C--N 1.314 -0.968 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.196 179.795 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.636 ' H ' ' C ' ' A' ' 4' ' ' LYS . 2.4 mp0 -68.61 -41.22 79.86 Favored 'General case' 0 N--CA 1.43 -1.432 0 N-CA-C 107.432 -1.322 . . . . 0.0 107.432 179.037 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -51.06 44.33 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.54 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.75 -45.89 90.82 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.212 -0.595 . . . . 0.0 110.933 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -33.84 76.48 Favored 'General case' 0 C--N 1.316 -0.87 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.166 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.0 tp -60.64 -42.62 97.31 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.95 -179.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.64 -40.47 41.68 Favored 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 119.961 -0.696 . . . . 0.0 110.174 178.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.517 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.49 -44.87 96.31 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.433 -177.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.479 ' C ' ' H ' ' A' ' 15' ' ' ALA . 32.8 mt-30 -60.93 -40.64 94.01 Favored 'General case' 0 N--CA 1.448 -0.551 0 CA-C-O 121.292 0.568 . . . . 0.0 109.74 179.242 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.614 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -58.0 -3.82 0.27 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.103 -0.953 . . . . 0.0 110.958 179.87 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -68.44 -37.1 79.95 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.883 179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.2 p -104.92 -21.61 13.28 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.268 -0.878 . . . . 0.0 111.113 -179.599 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 113.81 49.22 0.55 Allowed Glycine 0 CA--C 1.52 0.401 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 -179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -137.27 170.4 23.59 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -152.46 -172.59 4.28 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 66.9 mt -72.72 -42.47 62.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.657 179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.463 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -92.02 -5.4 66.07 Favored Glycine 0 CA--C 1.529 0.952 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.853 -179.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.415 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.5 t 53.15 113.22 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.945 0.402 . . . . 0.0 111.162 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 159.21 101.61 0.17 Allowed Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 179.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 52.92 56.43 18.7 Favored Glycine 0 CA--C 1.523 0.57 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 179.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.506 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -56.92 -2.55 0.54 Allowed Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.43 -0.668 . . . . 0.0 111.43 -179.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.71 -48.75 80.38 Favored 'General case' 0 C--N 1.322 -0.593 0 C-N-CA 119.728 -0.789 . . . . 0.0 110.494 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.518 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 8.0 p -73.66 -20.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.328 -0.851 . . . . 0.0 110.866 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.27 -27.98 67.69 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 119.967 -0.693 . . . . 0.0 110.671 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.614 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 72.3 m -61.85 -50.52 71.93 Favored 'General case' 0 N--CA 1.444 -0.744 0 C-N-CA 119.852 -0.739 . . . . 0.0 111.23 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.694 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.76 -34.75 77.43 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 119.626 -0.83 . . . . 0.0 111.204 -177.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.564 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 52.6 m-80 -51.27 -33.91 30.48 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.735 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.7 t80 -58.14 -47.32 83.67 Favored 'General case' 0 C--N 1.317 -0.834 0 CA-C-N 115.779 -0.646 . . . . 0.0 112.115 -179.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.5 ttp-105 -61.67 -42.82 99.44 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 121.709 0.766 . . . . 0.0 109.539 -179.143 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.694 HE22 ' NE2' ' A' ' 30' ' ' GLN . 56.0 mt-30 -63.42 -43.84 96.31 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.248 -1.342 . . . . 0.0 111.717 -178.719 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -89.18 -53.05 4.74 Favored 'General case' 0 CA--C 1.519 -0.239 0 N-CA-C 109.971 -0.381 . . . . 0.0 109.971 -179.406 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.522 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.74 106.03 15.88 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-O 121.121 0.486 . . . . 0.0 109.818 179.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.501 179.941 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.415 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.5 ' C ' ' N ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.689 -1.365 . . . . 0.0 109.689 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 1.2 mp 44.75 18.31 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.177 0.513 . . . . 0.0 110.135 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.5 ' N ' ' C ' ' A' ' 1' ' ' GLY . . . -150.54 149.29 21.13 Favored Glycine 0 CA--C 1.52 0.35 0 CA-C-N 115.327 -0.851 . . . . 0.0 111.185 -179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.597 ' C ' ' H ' ' A' ' 6' ' ' GLN . 59.9 pttt -66.41 131.8 46.88 Favored 'General case' 0 C--N 1.318 -0.797 0 N-CA-C 109.397 -0.594 . . . . 0.0 109.397 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.31 -18.51 0.13 Allowed 'General case' 0 C--N 1.316 -0.87 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.297 179.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.597 ' H ' ' C ' ' A' ' 4' ' ' LYS . 4.3 tp-100 -67.6 -42.32 82.64 Favored 'General case' 0 N--CA 1.424 -1.738 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 179.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -69.58 -51.32 36.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 114.005 -1.452 . . . . 0.0 111.157 -179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.02 -48.3 80.46 Favored 'General case' 0 C--N 1.319 -0.745 0 C-N-CA 120.093 -0.643 . . . . 0.0 111.043 -179.184 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.22 -33.54 75.72 Favored 'General case' 0 C--N 1.316 -0.86 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.41 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.447 ' CD1' ' OG1' ' A' ' 19' ' ' THR . 42.6 tp -62.8 -43.06 99.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.076 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.36 -43.21 33.63 Favored 'General case' 0 N--CA 1.453 -0.298 0 C-N-CA 120.166 -0.614 . . . . 0.0 109.825 179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.617 ' O ' HD23 ' A' ' 12' ' ' LEU . 2.2 tt -61.48 -43.96 97.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.292 -178.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' C ' ' H ' ' A' ' 15' ' ' ALA . 0.4 OUTLIER -60.45 -38.93 85.71 Favored 'General case' 0 C--N 1.321 -0.634 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.263 179.85 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.602 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -62.45 -1.57 0.82 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.975 179.702 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -65.95 -38.01 87.49 Favored 'General case' 0 C--N 1.317 -0.827 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 33.8 t -103.67 -29.0 11.35 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.848 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.95 48.69 0.18 Allowed Glycine 0 N--CA 1.463 0.493 0 N-CA-C 110.301 -1.119 . . . . 0.0 110.301 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -143.32 157.88 27.08 Favored Glycine 0 CA--C 1.523 0.547 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.447 ' OG1' ' CD1' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -155.52 148.13 24.09 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.889 0.376 . . . . 0.0 110.533 179.643 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.517 ' CD1' HE22 ' A' ' 6' ' ' GLN . 75.1 mt -72.87 -36.85 53.07 Favored 'Isoleucine or valine' 0 C--O 1.232 0.146 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 179.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.44 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -67.31 -14.53 64.33 Favored Glycine 0 CA--C 1.526 0.769 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.406 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.455 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.0 t 51.59 106.89 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.848 0.356 . . . . 0.0 110.993 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.39 100.42 0.16 Allowed Glycine 0 CA--C 1.523 0.567 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.602 ' O ' HG22 ' A' ' 27' ' ' VAL . . . 42.84 71.57 0.39 Allowed Glycine 0 CA--C 1.524 0.622 0 N-CA-C 111.086 -0.806 . . . . 0.0 111.086 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.48 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -44.65 -19.14 0.14 Allowed Glycine 0 CA--C 1.524 0.6 0 N-CA-C 111.175 -0.77 . . . . 0.0 111.175 -179.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.453 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -64.96 -49.89 68.56 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 119.479 -0.888 . . . . 0.0 109.732 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.602 HG22 ' O ' ' A' ' 24' ' ' GLY . 20.7 m -72.07 -19.9 19.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 114.88 -1.055 . . . . 0.0 111.226 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.516 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -55.61 -32.54 63.19 Favored 'General case' 0 C--N 1.328 -0.361 0 O-C-N 121.783 -0.573 . . . . 0.0 111.044 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.602 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 84.8 m -63.45 -51.95 63.5 Favored 'General case' 0 N--CA 1.444 -0.755 0 C-N-CA 119.598 -0.841 . . . . 0.0 111.316 -179.568 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.519 ' CD ' ' N ' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -69.34 -34.88 75.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.932 -0.576 . . . . 0.0 111.195 -178.275 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.568 ' ND2' ' O ' ' A' ' 27' ' ' VAL . 45.1 m-80 -48.85 -31.73 7.66 Favored 'General case' 0 N--CA 1.447 -0.621 0 CA-C-O 121.194 0.521 . . . . 0.0 110.189 -179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 20.5 t80 -59.82 -47.68 84.75 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.497 -0.774 . . . . 0.0 111.746 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.475 ' NH2' ' O ' ' A' ' 29' ' ' CYS . 0.0 OUTLIER -59.33 -40.82 87.57 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 -179.034 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -66.61 -42.47 86.79 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.8 -179.137 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -88.54 -55.8 3.57 Favored 'General case' 0 CA--C 1.514 -0.44 0 C-N-CA 120.581 -0.448 . . . . 0.0 109.969 -178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.4 m -106.48 106.02 16.33 Favored 'General case' 0 N--CA 1.449 -0.476 0 CA-C-O 120.956 0.407 . . . . 0.0 110.082 179.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 77.0 ttt180 . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.038 -0.982 . . . . 0.0 110.358 179.943 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.455 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.572 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 37.6 mt 57.88 0.38 0.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.924 0.392 . . . . 0.0 110.031 -179.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.572 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -99.65 165.5 20.18 Favored Glycine 0 N--CA 1.462 0.37 0 N-CA-C 110.61 -0.996 . . . . 0.0 110.61 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.616 ' C ' ' H ' ' A' ' 6' ' ' GLN . 18.1 pttp -65.81 130.61 43.87 Favored 'General case' 0 C--N 1.316 -0.851 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.491 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.65 -22.11 0.12 Allowed 'General case' 0 C--N 1.313 -0.992 0 N-CA-C 109.892 -0.41 . . . . 0.0 109.892 179.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.616 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.8 mm-40 -68.1 -44.24 76.64 Favored 'General case' 0 N--CA 1.423 -1.824 0 N-CA-C 108.363 -0.977 . . . . 0.0 108.363 179.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 4.4 t -69.67 -51.78 31.62 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 114.611 -1.177 . . . . 0.0 110.773 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.7 -45.82 92.74 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.153 -0.619 . . . . 0.0 111.119 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' A' ' 5' ' ' ALA . . . -64.08 -32.19 73.65 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.312 -179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 39.4 tp -61.02 -42.95 99.44 Favored 'General case' 0 C--N 1.32 -0.686 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.188 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -74.3 -44.94 50.58 Favored 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 119.5 -0.88 . . . . 0.0 110.05 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.51 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -62.28 -42.53 99.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.487 -178.45 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 17' ' ' GLY . 0.8 OUTLIER -60.57 -31.94 71.04 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.17 179.802 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.612 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -61.71 -16.07 45.91 Favored 'General case' 0 C--N 1.318 -0.766 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.504 179.488 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 12' ' ' LEU . . . -71.2 -41.91 69.67 Favored 'General case' 0 C--N 1.315 -0.92 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.945 179.813 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 36.7 t -111.48 -34.88 5.97 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.487 179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . -138.03 -81.85 0.1 OUTLIER Glycine 0 CA--C 1.532 1.152 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.914 -178.776 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.442 ' H ' ' HB3' ' A' ' 13' ' ' GLN . . . 139.17 -82.62 0.25 Allowed Glycine 0 N--CA 1.475 1.274 0 N-CA-C 111.322 -0.711 . . . . 0.0 111.322 -179.07 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.67 ' C ' ' H ' ' A' ' 21' ' ' GLY . 3.1 p -86.11 24.94 1.23 Allowed 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.756 0.28 . . . . 0.0 111.756 -179.018 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 71.5 mt 62.85 -22.97 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 C-N-CA 122.725 0.41 . . . . 0.0 110.368 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.67 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -93.36 2.48 71.04 Favored Glycine 0 CA--C 1.53 0.986 0 N-CA-C 111.579 -0.608 . . . . 0.0 111.579 179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.423 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 12.3 t 45.89 101.0 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.785 0.326 . . . . 0.0 111.193 179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.16 96.15 0.1 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 111.29 -0.724 . . . . 0.0 111.29 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.495 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 69.81 16.94 72.79 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 179.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.512 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -61.38 3.03 0.61 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.495 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.76 -46.54 90.07 Favored 'General case' 0 C--N 1.323 -0.572 0 C-N-CA 120.164 -0.614 . . . . 0.0 110.029 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.527 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 9.6 p -71.0 -20.95 21.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.197 -0.91 . . . . 0.0 111.003 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.29 -28.03 67.77 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.54 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.612 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 76.2 m -60.81 -51.1 70.77 Favored 'General case' 0 N--CA 1.445 -0.697 0 C-N-CA 120.097 -0.641 . . . . 0.0 111.002 -179.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.648 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.89 -33.54 74.93 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 119.628 -0.829 . . . . 0.0 111.102 -177.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.551 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 53.2 m-80 -52.19 -32.98 38.74 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.132 0.491 . . . . 0.0 110.697 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 36' ' ' CYS . 17.0 t80 -57.86 -45.64 85.98 Favored 'General case' 0 C--N 1.315 -0.915 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.602 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 17.9 tpt85 -63.8 -42.19 97.75 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.651 0.738 . . . . 0.0 110.025 -179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.648 HE22 ' NE2' ' A' ' 30' ' ' GLN . 58.3 mt-30 -63.37 -42.06 98.84 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 114.601 -1.181 . . . . 0.0 111.694 -178.458 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -90.74 -52.8 4.7 Favored 'General case' 0 CA--C 1.514 -0.437 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.525 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.2 m -105.91 105.95 16.22 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.028 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 117.951 -1.023 . . . . 0.0 110.766 179.829 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.423 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.532 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.489 2.233 0 N-CA-C 109.532 -1.427 . . . . 0.0 109.532 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 40.5 mt 58.33 -0.09 0.12 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.849 0.357 . . . . 0.0 110.466 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.532 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -92.13 165.17 28.94 Favored Glycine 0 C--N 1.329 0.169 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 179.611 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.632 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.8 pttm -64.97 129.88 41.34 Favored 'General case' 0 C--N 1.316 -0.884 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.493 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.87 -20.46 0.13 Allowed 'General case' 0 C--N 1.318 -0.789 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.02 179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.632 ' H ' ' C ' ' A' ' 4' ' ' LYS . 87.6 mm-40 -68.85 -43.63 75.04 Favored 'General case' 0 N--CA 1.421 -1.894 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 179.231 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -69.5 -49.96 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.157 -0.929 . . . . 0.0 110.913 179.663 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -46.78 88.76 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.225 -0.59 . . . . 0.0 110.906 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' CG ' ' A' ' 13' ' ' GLN . . . -63.55 -31.28 72.39 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.096 -179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 42.3 tp -61.6 -45.35 94.47 Favored 'General case' 0 C--N 1.32 -0.701 0 C-N-CA 120.224 -0.59 . . . . 0.0 109.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -75.72 -43.4 47.2 Favored 'General case' 0 N--CA 1.452 -0.338 0 C-N-CA 119.649 -0.82 . . . . 0.0 110.171 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 2.9 tp -62.96 -42.73 99.91 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.39 -178.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.419 ' CG ' ' O ' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -60.65 -38.17 83.98 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.563 -0.455 . . . . 0.0 110.077 -179.532 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.44 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 0.5 OUTLIER -47.05 -37.5 9.52 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.215 -0.594 . . . . 0.0 110.356 179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -70.62 -38.47 73.93 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.963 178.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.8 t -68.81 -34.37 75.4 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.705 -0.679 . . . . 0.0 111.099 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 172.77 -39.42 0.15 Allowed Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.166 -0.774 . . . . 0.0 111.166 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -176.96 -109.0 0.24 Allowed Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.719 -0.753 . . . . 0.0 111.565 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.3 p -147.91 -161.08 1.26 Allowed 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 65.4 mt -72.33 -41.89 65.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.012 0.434 . . . . 0.0 110.164 -179.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -65.04 -29.73 76.13 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 111.42 -0.672 . . . . 0.0 111.42 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.411 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.3 t 56.26 120.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.006 0.432 . . . . 0.0 110.812 -179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.99 103.52 0.55 Allowed Glycine 0 CA--C 1.523 0.574 0 N-CA-C 111.001 -0.839 . . . . 0.0 111.001 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.512 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 55.8 34.45 61.16 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.484 ' O ' ' HB3' ' A' ' 28' ' ' ALA . . . -60.07 1.73 0.55 Allowed Glycine 0 CA--C 1.521 0.442 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.707 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -58.5 -46.82 85.92 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.2 0.524 . . . . 0.0 110.212 179.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 12.2 p -70.26 -18.87 21.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.173 179.351 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.484 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -58.17 -29.42 65.59 Favored 'General case' 0 C--N 1.322 -0.629 0 C-N-CA 120.311 -0.556 . . . . 0.0 111.231 -179.675 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 92.5 m -60.56 -50.53 73.17 Favored 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.533 -0.467 . . . . 0.0 111.312 -178.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.677 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -68.19 -33.59 74.73 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.82 -178.002 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.556 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 43.2 m-80 -52.84 -32.81 46.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.563 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.526 ' O ' ' N ' ' A' ' 36' ' ' CYS . 18.3 t80 -57.18 -46.5 82.77 Favored 'General case' 0 C--N 1.316 -0.872 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.283 -179.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.12 -40.88 97.14 Favored 'General case' 0 C--N 1.32 -0.712 0 C-N-CA 119.963 -0.695 . . . . 0.0 109.845 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.677 HE22 ' NE2' ' A' ' 30' ' ' GLN . 50.8 mt-30 -64.83 -41.65 95.58 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.371 -178.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.4 m-85 -89.26 -56.19 3.37 Favored 'General case' 0 CA--C 1.517 -0.292 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.526 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.7 m -105.7 106.6 17.17 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 121.01 0.433 . . . . 0.0 110.181 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 62.5 ttp180 . . . . . 0 C--O 1.219 -0.542 0 CA-C-O 117.93 -1.033 . . . . 0.0 110.126 179.743 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.411 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.326 0 N-CA-C 109.465 -1.454 . . . . 0.0 109.465 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.446 ' O ' ' O ' ' A' ' 1' ' ' GLY . 8.1 mt 55.59 158.54 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.997 0.427 . . . . 0.0 110.495 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 132.02 164.96 11.2 Favored Glycine 0 N--CA 1.462 0.397 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.647 ' C ' ' H ' ' A' ' 6' ' ' GLN . 12.0 ptpt -65.12 131.45 46.57 Favored 'General case' 0 N--CA 1.447 -0.621 0 N-CA-C 108.967 -0.753 . . . . 0.0 108.967 179.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.5 -20.72 0.12 Allowed 'General case' 0 C--N 1.311 -1.104 0 C-N-CA 120.297 -0.561 . . . . 0.0 109.57 -179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.647 ' H ' ' C ' ' A' ' 4' ' ' LYS . 20.9 tm0? -66.99 -43.0 84.11 Favored 'General case' 0 N--CA 1.426 -1.635 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.4 m -70.83 -51.38 26.99 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 114.295 -1.32 . . . . 0.0 111.198 179.226 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.52 -46.41 90.09 Favored 'General case' 0 C--N 1.32 -0.689 0 C-N-CA 120.346 -0.542 . . . . 0.0 111.784 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.15 -32.89 73.55 Favored 'General case' 0 C--N 1.315 -0.904 0 CA-C-O 121.072 0.463 . . . . 0.0 110.088 -179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.4 tp -63.91 -43.21 96.65 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.264 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -79.09 -39.41 33.84 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 120.764 -0.374 . . . . 0.0 110.284 178.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.4 tp -62.3 -43.44 98.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.234 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.62 -39.31 93.38 Favored 'General case' 0 N--CA 1.445 -0.723 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.804 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.627 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -60.81 -7.84 2.63 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.094 179.892 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -65.55 -37.48 86.85 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.676 -0.693 . . . . 0.0 109.9 179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 14.2 m -100.58 -24.46 14.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.785 179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.2 45.64 0.62 Allowed Glycine 0 CA--C 1.52 0.377 0 N-CA-C 109.88 -1.288 . . . . 0.0 109.88 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -136.38 170.5 23.28 Favored Glycine 0 CA--C 1.523 0.543 0 N-CA-C 111.021 -0.832 . . . . 0.0 111.021 -179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 1.8 p -150.85 170.99 17.94 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.9 mt -75.71 -24.54 16.97 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.406 ' O ' ' O ' ' A' ' 22' ' ' CYS . . . -159.84 161.16 32.14 Favored Glycine 0 N--CA 1.445 -0.751 0 N-CA-C 110.226 -1.15 . . . . 0.0 110.226 -179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 21' ' ' GLY . 61.6 m 57.35 157.66 0.02 OUTLIER 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.363 -0.419 . . . . 0.0 110.036 -179.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.552 ' O ' ' N ' ' A' ' 25' ' ' GLY . . . -71.7 -100.35 0.06 OUTLIER Glycine 0 CA--C 1.518 0.224 0 N-CA-C 110.833 -0.907 . . . . 0.0 110.833 -179.53 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.586 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . 60.81 -69.91 0.01 OUTLIER Glycine 0 CA--C 1.529 0.945 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.552 ' N ' ' O ' ' A' ' 23' ' ' GLY . . . 53.49 -68.66 0.0 OUTLIER Glycine 0 CA--C 1.507 -0.455 0 C-N-CA 124.049 0.833 . . . . 0.0 112.133 179.412 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.586 ' N ' ' O ' ' A' ' 24' ' ' GLY . . . -62.25 -48.54 79.49 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 121.806 0.812 . . . . 0.0 109.974 -179.35 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.516 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 14.8 p -73.55 -19.9 18.09 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 114.683 -1.144 . . . . 0.0 110.377 179.484 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.404 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . . . -58.46 -30.81 67.24 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.289 -0.564 . . . . 0.0 110.686 -179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.627 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 90.1 m -62.71 -48.77 77.8 Favored 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 119.669 -0.813 . . . . 0.0 112.202 -178.641 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.547 ' OE1' ' ND2' ' A' ' 31' ' ' ASN . 0.0 OUTLIER -68.46 -34.67 76.36 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 119.098 -1.041 . . . . 0.0 111.262 -177.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.547 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 47.1 m-80 -47.96 -31.22 5.0 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.126 -179.5 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' CYS . 23.0 t80 -59.42 -47.9 83.71 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.244 -0.889 . . . . 0.0 112.656 -179.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.512 ' NE ' ' O ' ' A' ' 33' ' ' ARG . 0.1 OUTLIER -61.99 -41.44 98.03 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.504 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.403 ' OE1' ' NH2' ' A' ' 33' ' ' ARG . 8.0 mm-40 -62.89 -47.66 82.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.935 -179.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -87.01 -49.6 7.22 Favored 'General case' 0 CA--C 1.514 -0.42 0 C-N-CA 120.539 -0.465 . . . . 0.0 109.853 -178.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' TYR . 2.9 m -103.81 106.17 16.6 Favored 'General case' 0 N--CA 1.449 -0.503 0 N-CA-C 109.52 -0.548 . . . . 0.0 109.52 179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 15.0 tpt180 . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.083 -0.961 . . . . 0.0 110.571 -179.62 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.558 ' C ' ' H ' ' A' ' 3' ' ' GLY . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 109.558 -1.417 . . . . 0.0 109.558 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 44.9 mt 58.25 0.32 0.13 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.896 0.379 . . . . 0.0 110.169 -179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.558 ' H ' ' C ' ' A' ' 1' ' ' GLY . . . -93.58 165.8 27.51 Favored Glycine 0 CA--C 1.518 0.253 0 N-CA-C 110.719 -0.952 . . . . 0.0 110.719 179.737 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.622 ' C ' ' H ' ' A' ' 6' ' ' GLN . 23.9 pttm -65.74 129.92 41.48 Favored 'General case' 0 C--N 1.317 -0.84 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 179.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 66.88 -19.72 0.11 Allowed 'General case' 0 C--N 1.315 -0.926 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.234 179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.622 ' H ' ' C ' ' A' ' 4' ' ' LYS . 11.8 mm100 -68.51 -42.07 79.06 Favored 'General case' 0 N--CA 1.427 -1.624 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.13 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -68.98 -51.06 43.42 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 114.275 -1.33 . . . . 0.0 110.473 179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.66 -44.87 95.92 Favored 'General case' 0 C--N 1.319 -0.755 0 C-N-CA 120.032 -0.667 . . . . 0.0 111.032 -179.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.79 -33.81 76.51 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.211 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.46 -42.34 95.99 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.086 -179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -41.56 42.17 Favored 'General case' 0 C--O 1.234 0.237 0 C-N-CA 119.634 -0.826 . . . . 0.0 110.064 178.134 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.528 HD13 ' O ' ' A' ' 12' ' ' LEU . 0.2 OUTLIER -61.5 -44.35 97.23 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.652 -178.042 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.48 ' C ' ' H ' ' A' ' 15' ' ' ALA . 24.3 mt-30 -61.59 -39.59 91.75 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-O 121.209 0.528 . . . . 0.0 109.767 179.636 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.65 ' SG ' ' N ' ' A' ' 29' ' ' CYS . 0.5 OUTLIER -57.86 -5.03 0.36 Allowed 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.884 179.778 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.48 ' H ' ' C ' ' A' ' 13' ' ' GLN . . . -69.49 -37.34 77.19 Favored 'General case' 0 C--N 1.314 -0.977 0 CA-C-N 115.621 -0.718 . . . . 0.0 109.999 179.507 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 6.6 p -106.4 -11.41 15.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.315 -0.857 . . . . 0.0 111.068 -179.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.75 19.63 7.69 Favored Glycine 0 N--CA 1.465 0.568 0 N-CA-C 110.43 -1.068 . . . . 0.0 110.43 -179.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.49 152.7 20.71 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.096 -0.801 . . . . 0.0 111.096 -179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -157.91 154.93 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.931 0.396 . . . . 0.0 111.1 179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 76.8 mt -71.19 -40.72 74.97 Favored 'Isoleucine or valine' 0 C--O 1.233 0.203 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.84 -6.25 43.22 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.124 -0.79 . . . . 0.0 111.124 -179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.45 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 20.2 t 42.43 92.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.044 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.17 101.4 0.18 Allowed Glycine 0 CA--C 1.524 0.616 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 50.87 68.87 1.29 Allowed Glycine 0 CA--C 1.523 0.578 0 N-CA-C 111.132 -0.787 . . . . 0.0 111.132 179.709 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.517 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -57.28 -2.05 0.57 Allowed Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.262 -0.735 . . . . 0.0 111.262 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.479 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -60.98 -48.58 81.18 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.37 -179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.507 ' O ' ' ND2' ' A' ' 31' ' ' ASN . 7.1 p -72.71 -20.17 19.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.222 -0.899 . . . . 0.0 111.124 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.18 -28.55 68.05 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.095 -0.642 . . . . 0.0 110.756 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . 0.65 ' N ' ' SG ' ' A' ' 14' ' ' CYS . 73.1 m -62.65 -49.84 73.57 Favored 'General case' 0 N--CA 1.443 -0.796 0 C-N-CA 119.881 -0.728 . . . . 0.0 111.16 -178.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.692 ' NE2' HE22 ' A' ' 34' ' ' GLN . 0.0 OUTLIER -67.88 -32.8 73.54 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 119.567 -0.853 . . . . 0.0 111.235 -178.012 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.563 ' ND2' ' OE1' ' A' ' 30' ' ' GLN . 49.3 m-80 -52.81 -33.0 47.09 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.542 179.75 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 36' ' ' CYS . 16.2 t80 -58.11 -47.57 82.86 Favored 'General case' 0 C--N 1.315 -0.918 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.997 -179.578 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.9 -41.77 98.29 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 119.643 -0.823 . . . . 0.0 109.239 -179.38 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.692 HE22 ' NE2' ' A' ' 30' ' ' GLN . 57.6 mt-30 -63.11 -44.1 96.6 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.857 -178.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -89.31 -53.04 4.74 Favored 'General case' 0 CA--C 1.516 -0.35 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.098 -179.487 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.536 ' N ' ' O ' ' A' ' 32' ' ' TYR . 1.8 m -108.75 106.0 15.83 Favored 'General case' 0 N--CA 1.451 -0.399 0 CA-C-O 121.006 0.432 . . . . 0.0 109.946 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 20.0 ptp180 . . . . . 0 C--O 1.219 -0.503 0 CA-C-O 117.934 -1.031 . . . . 0.0 111.145 -179.943 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.45 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 2' ' ' LEU . . . . . . . . 0 N--CA 1.491 2.309 0 N-CA-C 109.541 -1.424 . . . . 0.0 109.541 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.445 ' O ' ' O ' ' A' ' 1' ' ' GLY . 3.8 mt 49.47 103.16 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.236 0.541 . . . . 0.0 110.538 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -159.8 169.7 35.84 Favored Glycine 0 C--N 1.323 -0.148 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.132 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.609 ' C ' ' H ' ' A' ' 6' ' ' GLN . 24.3 pttm -65.19 129.85 41.21 Favored 'General case' 0 C--N 1.316 -0.886 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.495 ' HB3' ' O ' ' A' ' 4' ' ' LYS . . . 67.84 -20.28 0.13 Allowed 'General case' 0 C--N 1.316 -0.887 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.205 179.615 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.609 ' H ' ' C ' ' A' ' 4' ' ' LYS . 78.0 mm-40 -68.66 -44.19 74.63 Favored 'General case' 0 N--CA 1.416 -2.137 0 N-CA-C 108.229 -1.026 . . . . 0.0 108.229 179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 1.3 m -69.11 -50.88 44.1 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.785 179.723 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.99 -48.82 80.2 Favored 'General case' 0 C--N 1.319 -0.742 0 C-N-CA 120.11 -0.636 . . . . 0.0 111.108 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.75 -32.91 74.14 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.42 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 43.4 tp -63.2 -44.82 94.28 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.456 -0.498 . . . . 0.0 110.004 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -76.5 -42.74 42.35 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 119.747 -0.781 . . . . 0.0 110.033 179.032 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.0 tp -62.0 -43.09 99.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.971 -178.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.429 ' NE2' ' O ' ' A' ' 18' ' ' GLY . 0.5 OUTLIER -60.1 -38.63 83.51 Favored 'General case' 0 C--N 1.32 -0.716 0 C-N-CA 120.506 -0.478 . . . . 0.0 110.063 179.844 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 25' ' ' GLY . 1.7 t -56.12 -11.58 1.18 Allowed 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.069 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -69.41 -38.66 78.02 Favored 'General case' 0 C--N 1.316 -0.885 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.542 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 16.3 m -105.35 -31.82 8.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.674 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 106.22 38.53 2.28 Favored Glycine 0 N--CA 1.463 0.486 0 N-CA-C 110.234 -1.147 . . . . 0.0 110.234 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . 0.429 ' O ' ' NE2' ' A' ' 13' ' ' GLN . . . -129.49 56.86 0.73 Allowed Glycine 0 N--CA 1.465 0.588 0 N-CA-C 111.923 -0.471 . . . . 0.0 111.923 -179.323 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.1 p -81.7 174.27 11.53 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.924 0.392 . . . . 0.0 110.251 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 60.9 mt -73.83 -24.39 19.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.087 -179.729 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -64.65 -31.55 81.27 Favored Glycine 0 CA--C 1.523 0.548 0 N-CA-C 111.08 -0.808 . . . . 0.0 111.08 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CYS . . . . . 1.446 ' SG ' ' C2 ' ' A' ' 101' ' ' BGC . 13.2 t 47.24 97.36 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.896 0.379 . . . . 0.0 110.589 -179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 130.65 105.46 1.08 Allowed Glycine 0 CA--C 1.522 0.523 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 179.79 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 26' ' ' ALA . . . 60.35 37.82 93.71 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 179.653 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.511 ' O ' ' SG ' ' A' ' 14' ' ' CYS . . . -55.17 -4.32 0.47 Allowed Glycine 0 CA--C 1.52 0.375 0 N-CA-C 111.158 -0.777 . . . . 0.0 111.158 -179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' H ' ' C ' ' A' ' 24' ' ' GLY . . . -62.72 -46.76 86.61 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.333 0.587 . . . . 0.0 109.809 179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.415 HG22 ' O ' ' A' ' 24' ' ' GLY . 5.2 m -67.68 -21.64 27.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-N 115.228 -0.896 . . . . 0.0 110.733 179.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' A' ' 25' ' ' GLY . . . -54.29 -29.69 48.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.646 0.26 . . . . 0.0 111.194 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' CYS . . . . . . . . . . . . . 93.6 m -58.86 -49.85 76.22 Favored 'General case' 0 N--CA 1.442 -0.833 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.964 -179.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HG2' ' N ' ' A' ' 31' ' ' ASN . 0.4 OUTLIER -67.36 -31.57 71.91 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.499 0.666 . . . . 0.0 111.404 -178.343 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.442 ' N ' ' HG2' ' A' ' 30' ' ' GLN . 42.7 m-80 -60.01 -31.61 70.09 Favored 'General case' 0 N--CA 1.443 -0.807 0 CA-C-N 114.898 -1.046 . . . . 0.0 110.373 -177.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 36' ' ' CYS . 12.5 t80 -58.89 -42.5 89.71 Favored 'General case' 0 C--N 1.308 -1.228 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.477 178.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.94 -41.58 99.53 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.108 -0.637 . . . . 0.0 109.539 -178.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -68.69 -39.71 80.39 Favored 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.65 -179.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.0 m-85 -90.01 -55.72 3.51 Favored 'General case' 0 CA--C 1.515 -0.401 0 C-N-CA 120.657 -0.417 . . . . 0.0 110.065 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.533 ' N ' ' O ' ' A' ' 32' ' ' TYR . 6.3 m -103.8 106.47 16.99 Favored 'General case' 0 N--CA 1.448 -0.554 0 CA-C-O 121.021 0.439 . . . . 0.0 110.092 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 63.2 ttm-85 . . . . . 0 C--O 1.221 -0.438 0 CA-C-O 117.938 -1.029 . . . . 0.0 110.054 179.633 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' BGC . . . . . 1.446 ' C2 ' ' SG ' ' A' ' 22' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_