data_6jxu_residue ############################ # Computer software used # ############################ 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 6jxu _Structure_validation_residue.Date_analyzed 2020-01-31 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 ' 21' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.4 mm -122.94 117.18 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HZ2' ' CD ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -90.36 110.89 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.859 0.362 . . . . 10.0 110.586 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.31 118.75 32.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -85.35 104.37 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.2 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 1.8 t -91.14 127.05 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.176 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 mm -83.66 106.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.51 155.06 46.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.995 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.42 -31.81 73.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 10.0 111.089 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -89.46 16.32 7.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.2 m 64.56 66.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.1 140.92 50.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.798 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.711 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 14.7 mt-10 -94.22 76.46 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 10.0 110.331 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.417 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 28.6 mm -73.24 114.45 12.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.512 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.4 OUTLIER -99.93 93.82 5.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.804 -179.442 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.64 118.29 25.06 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.865 -0.334 . . . . 10.0 110.724 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -89.33 99.16 12.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 10.0 109.947 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.99 162.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.634 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.68 131.76 54.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.112 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.2 tpp -75.72 79.79 2.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 10.0 111.266 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' A' ' 40' ' ' MET . 10.3 t 171.87 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.843 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 m -86.15 141.23 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.76 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -67.4 145.29 55.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.923 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.43 -12.55 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.779 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 51.5 tptt -57.09 -47.82 80.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.905 0.384 . . . . 10.0 110.404 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -69.07 -26.68 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.081 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.96 -41.89 34.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.552 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -61.06 -46.49 90.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.464 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.1 pt-20 -67.38 -42.84 82.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.335 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -59.58 -36.15 75.69 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.685 0.279 . . . . 10.0 111.241 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -64.26 -44.8 90.63 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.03 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.534 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.4 mt-30 -61.98 -34.04 75.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.524 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -72.62 -39.9 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 10.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -78.55 -12.24 60.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 10.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.29 32.93 30.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.131 -0.557 . . . . 10.0 112.969 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.88 147.23 58.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 156.14 60.64 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.145 1.896 . . . . 10.0 111.076 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.53 154.6 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 81.88 -0.49 1.52 Allowed 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.96 0.788 . . . . 10.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.7 p -86.83 -32.98 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.114 0.483 . . . . 10.0 110.026 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.1 mt -118.45 139.0 52.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.487 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.4 ptt-85 -107.55 130.0 54.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.28 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -92.07 120.68 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.742 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -106.05 134.38 49.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.161 0.505 . . . . 10.0 111.251 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -140.59 111.36 6.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.739 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 66.43 28.13 9.69 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.644 0.59 . . . . 10.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.73 -33.38 5.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -83.87 162.95 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.623 0.249 . . . . 10.0 110.353 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -105.48 132.48 51.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.037 0.446 . . . . 10.0 110.6 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -64.79 125.88 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.569 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.67 173.01 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 11.6 m-20 -78.87 -10.57 59.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 10.0 111.464 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -107.91 17.06 22.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.26 146.24 23.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.289 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.527 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -125.58 147.49 58.39 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.108 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.04 -9.27 14.06 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.503 2.136 . . . . 10.0 113.042 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -73.4 -35.36 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.2 pt-20 -93.04 179.34 5.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.633 -0.258 . . . . 10.0 110.641 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 13.1 mt 72.41 -44.53 0.6 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.475 0.71 . . . . 10.0 111.486 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.21 39.99 0.84 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.413 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.9 mtt -73.04 137.68 45.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 10.0 110.643 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -133.42 178.76 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.033 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' CD ' ' HZ2' ' A' ' 23' ' ' LYS . 8.0 tp10 -65.97 138.16 57.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.611 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 59.3 39.24 22.69 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.584 0.553 . . . . 10.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t0 -78.09 163.35 25.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.997 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.05 128.02 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 10.0 111.324 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.4 tt -134.17 138.88 49.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.498 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.84 156.74 17.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.513 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.85 123.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.865 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.7 155.23 46.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.932 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.08 140.87 39.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.893 0.378 . . . . 10.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.443 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -76.12 157.63 32.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.406 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.1 -26.01 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.114 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -78.33 -34.03 48.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.148 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.443 0 C-N-CA 120.795 -0.717 . . . . 10.0 111.596 -179.194 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.711 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 4.5 ptp180 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.91 0.386 . . . . 10.0 111.018 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -132.0 115.78 15.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.794 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.561 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 61.1 Cg_endo -77.09 128.63 9.99 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.627 2.218 . . . . 10.0 112.647 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 9.8 mt -112.69 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 23.5 t -118.32 120.49 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.769 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.879 0.371 . . . . 10.0 110.681 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.3 mm -110.1 136.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 128.8 56.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 10.0 110.943 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.21 145.15 37.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.094 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -95.39 107.35 19.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.755 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.68 119.99 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.747 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.54 112.39 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.935 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.91 174.82 37.86 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.913 -0.661 . . . . 10.0 111.686 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -66.82 -24.51 66.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.964 0.412 . . . . 10.0 110.971 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.29 9.35 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.836 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 50.52 3.7 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.452 0.644 . . . . 10.0 110.706 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -97.41 167.05 11.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.406 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 33.9 mt-10 -128.95 60.0 1.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mm -55.3 137.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.791 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.59 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.1 OUTLIER -104.27 84.88 2.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.258 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -83.18 116.36 22.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.778 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -89.17 106.24 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -95.56 153.26 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.581 0.705 . . . . 10.0 111.998 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -89.6 110.68 21.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.192 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.433 ' O ' ' HB ' ' A' ' 41' ' ' THR . 2.2 tpt -73.88 73.91 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.201 0.524 . . . . 10.0 111.347 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.5 t 174.41 -18.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.981 -1.009 . . . . 10.0 109.904 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -104.82 151.01 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.623 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -69.44 155.43 40.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.914 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -72.9 -1.52 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.264 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 46.3 tptt -56.52 -55.66 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.602 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -66.85 -35.1 79.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.634 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.38 -42.86 96.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.683 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.94 -52.41 63.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.024 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' OE1' ' HE3' ' A' ' 45' ' ' LYS . 7.3 pt-20 -67.38 -35.29 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.984 0.364 . . . . 10.0 111.984 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.5 m -62.61 -39.59 94.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 10.0 110.63 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.47 -37.15 84.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.796 0.332 . . . . 10.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.06 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -64.53 -34.68 78.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -27.22 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.569 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -91.52 -11.11 38.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.54 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.23 11.61 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.231 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -141.42 153.85 66.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.3 173.66 11.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.269 1.98 . . . . 10.0 111.507 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 7.6 ttt -78.57 154.53 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.246 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 59' ' ' MET . 4.0 m120 77.51 4.88 3.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.949 0.781 . . . . 10.0 111.685 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.0 p -85.92 -41.01 15.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.465 0.65 . . . . 10.0 109.552 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.2 mt -110.16 134.72 51.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -103.96 132.78 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.361 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -92.62 126.0 37.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.893 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.97 125.87 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.21 0.529 . . . . 10.0 111.503 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -132.62 120.83 22.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.02 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.65 23.19 13.8 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.501 0.5 . . . . 10.0 111.035 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.54 -21.12 42.66 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -92.78 164.41 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -99.37 142.61 30.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.03 0.443 . . . . 10.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.86 124.57 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.001 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 167.56 15.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.56 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.4 m-20 -73.53 -16.67 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.957 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -102.94 13.05 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.305 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -84.75 145.13 28.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.205 0.526 . . . . 10.0 111.492 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.55 144.8 43.19 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.519 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.89 -10.06 21.3 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.429 2.086 . . . . 10.0 112.388 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.59 -28.84 56.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.694 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' ' HG ' ' A' ' 80' ' ' LEU . 5.9 pt-20 -104.24 -172.21 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 74.1 mt 71.45 -57.06 0.62 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.196 0.598 . . . . 10.0 110.817 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.54 0.18 Allowed Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.7 mtt -92.25 129.95 38.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.049 0.452 . . . . 10.0 110.521 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.8 mt-10 -128.35 -178.71 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.95 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -68.85 139.35 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 64.88 27.97 12.77 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.758 0.661 . . . . 10.0 111.334 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -72.08 156.38 39.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.557 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.62 121.61 58.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.111 0.481 . . . . 10.0 111.69 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.6 tt -132.48 133.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.349 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -105.63 154.39 20.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.949 0.404 . . . . 10.0 111.475 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.6 p -130.29 124.39 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.41 156.07 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.227 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -84.42 138.19 32.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.538 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.6 mm-40 -76.54 150.62 36.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.16 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -29.13 70.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.305 0.574 . . . . 10.0 109.901 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -17.8 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.53 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.265 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.406 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 50.7 mtp180 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.605 0.241 . . . . 10.0 110.711 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.9 134.21 23.61 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.59 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -78.86 133.65 11.43 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.702 2.268 . . . . 10.0 113.442 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.65 131.23 67.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.185 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.99 137.67 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.341 . . . . 10.0 110.953 -179.59 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.22 124.62 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 2.6 ttpm? -99.5 110.22 22.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.946 0.403 . . . . 10.0 110.999 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.55 131.77 44.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.994 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -90.16 105.05 17.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 3.0 t -86.07 114.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.648 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' ' 32' ' ' SER . 26.1 mm -95.66 111.97 27.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.21 38.35 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.436 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.2 -27.17 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.979 0.419 . . . . 10.0 111.227 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.32 15.32 5.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.9 m 63.66 49.72 2.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.375 0.607 . . . . 10.0 110.973 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -98.58 158.47 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.071 179.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 11.4 tt0 -129.32 70.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 10.0 109.824 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.431 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 25.7 mm -71.95 131.5 34.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.516 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -96.97 95.82 8.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.357 0.599 . . . . 10.0 110.654 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 116.59 23.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.394 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -94.14 98.22 10.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -97.25 161.34 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.519 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -108.62 139.05 43.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.312 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.56 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.6 tpp -81.13 76.2 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.257 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.0 OUTLIER 170.73 -27.65 0.0 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.712 178.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.12 142.77 27.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.801 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.56 143.6 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.07 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.94 -11.42 38.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.7 tptt -58.02 -48.11 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.326 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -67.45 -29.01 68.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.677 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.2 -44.77 59.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.027 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.13 -48.68 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.679 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.631 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -63.02 -40.05 96.58 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.79 0.329 . . . . 10.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -63.77 -38.6 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.6 m -63.18 -46.86 85.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.146 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 78.4 mt-30 -59.66 -42.01 91.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.421 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.28 -41.11 98.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -81.91 -7.75 59.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.822 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.78 30.39 56.13 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.853 -0.689 . . . . 10.0 112.987 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.2 m -128.53 147.57 64.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.356 -0.238 . . . . 10.0 110.356 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.36 156.99 56.93 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.322 2.014 . . . . 10.0 111.317 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.496 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 9.0 ttt -69.51 153.83 42.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.78 -0.368 . . . . 10.0 110.397 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 59' ' ' MET . 3.6 m-20 77.1 8.08 2.93 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.812 0.695 . . . . 10.0 111.625 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.4 p -91.87 -26.94 18.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.486 0.66 . . . . 10.0 109.429 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -119.6 133.66 55.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.938 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.517 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.4 ptt-85 -104.35 129.02 52.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.018 0.437 . . . . 10.0 110.308 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.433 ' HB3' HD12 ' A' ' 88' ' ' ILE . 75.4 m-85 -92.43 120.63 33.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.51 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.7 mt -108.16 126.45 52.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.665 0.745 . . . . 10.0 111.754 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -130.16 115.28 16.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.827 -1.078 . . . . 10.0 108.902 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 63.34 29.62 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.746 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.58 -17.22 53.7 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 115.943 -0.572 . . . . 10.0 112.818 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -95.47 164.43 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.823 -0.222 . . . . 10.0 110.414 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -104.39 134.45 47.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 10.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.71 123.07 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.798 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.59 167.5 16.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.076 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.8 m-20 -79.23 7.18 8.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.273 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -130.22 16.94 5.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.747 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -91.32 160.48 15.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.273 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.517 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -139.46 153.83 71.03 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.945 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.55 -10.02 26.36 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.55 2.166 . . . . 10.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -77.41 -23.44 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.153 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -104.93 175.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.441 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt 70.8 -62.2 0.45 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.944 0.778 . . . . 10.0 111.228 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.82 64.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.15 -0.548 . . . . 10.0 112.137 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 36.4 mtt -94.45 131.12 40.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.742 0.306 . . . . 10.0 110.59 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.2 mm-40 -129.67 175.68 8.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 23.8 tp10 -72.45 136.87 46.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 23.9 mm-40 75.29 25.35 1.3 Allowed 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.01 0.819 . . . . 10.0 110.896 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -76.61 164.11 26.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.777 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.87 122.96 66.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.576 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 12.7 tt -130.71 121.89 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -95.38 154.35 17.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.87 0.367 . . . . 10.0 111.072 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.58 127.94 53.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.125 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -128.51 166.1 19.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.671 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -84.09 134.18 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.092 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.517 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -77.3 154.73 32.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.776 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.02 -27.65 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.64 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 p -67.73 -44.5 77.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.718 -179.289 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 85.3 mtt180 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.908 0.385 . . . . 10.0 110.45 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -92.89 122.92 62.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -84.7 106.74 1.09 Allowed 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.86 2.373 . . . . 10.0 112.257 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.0 mt -101.86 120.02 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 10.0 111.821 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.2 137.92 52.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 3.2 pt . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.081 0.467 . . . . 10.0 111.892 -179.087 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -105.19 140.91 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.77 103.1 11.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.144 0.497 . . . . 10.0 110.555 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -88.03 158.45 18.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.979 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -109.97 99.86 8.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.496 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -91.26 113.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mm -92.2 109.48 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.624 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.38 169.12 54.26 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.056 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.65 -26.14 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.039 0.447 . . . . 10.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -85.78 13.59 7.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.899 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m 62.86 52.61 2.64 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.635 -0.711 . . . . 10.0 112.507 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.01 154.76 22.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.494 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 8.7 tt0 -115.24 84.2 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.312 0.577 . . . . 10.0 110.003 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 43.8 mm -77.49 118.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.119 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.569 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 41.1 m170 -96.42 76.83 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.427 0.632 . . . . 10.0 110.111 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.56 117.46 15.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.589 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.79 102.02 11.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -96.44 163.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.755 . . . . 10.0 111.418 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -112.39 128.98 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.453 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -78.43 77.16 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.195 0.521 . . . . 10.0 110.729 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 174.81 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.496 179.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -90.87 148.58 22.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.261 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -68.98 154.28 42.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.273 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.87 -13.32 62.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 49.2 tptt -56.11 -47.18 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.177 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -67.07 -25.72 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.216 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.2 -43.24 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 10.0 110.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.01 -42.92 99.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.353 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.4 pt-20 -67.06 -44.94 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.772 -0.195 . . . . 10.0 111.096 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.4 m -61.67 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.391 . . . . 10.0 111.124 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.42 -46.02 74.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.517 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.86 -41.58 98.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.421 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 94.1 mt-30 -63.94 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -72.8 -43.47 62.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.584 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.45 -31.54 71.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.12 28.34 7.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 10.0 112.3 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -132.02 150.48 76.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.15 164.95 20.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.491 2.127 . . . . 10.0 111.158 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.403 ' HE2' ' HD2' ' A' ' 45' ' ' LYS . 14.7 ttt -73.73 158.69 34.17 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.582 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 77.73 4.14 2.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 10.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.9 p -84.73 -35.47 22.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.337 0.589 . . . . 10.0 110.026 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.16 141.84 45.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.066 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.9 ptt-85 -107.38 125.69 51.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.522 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -90.05 116.48 28.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.581 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.79 132.36 51.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.073 0.463 . . . . 10.0 110.967 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -139.32 117.36 11.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.59 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 63.36 25.18 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.49 -43.72 1.64 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.48 177.45 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -112.83 141.97 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 10.0 110.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -73.36 124.51 30.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.347 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -78.94 160.62 27.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.869 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.7 m-20 -67.33 -38.24 84.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.599 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -85.2 6.9 23.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -72.77 154.72 40.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.187 0.517 . . . . 10.0 110.99 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.415 HG21 ' HD2' ' A' ' 77' ' ' PRO . 0.3 OUTLIER -133.45 146.23 59.79 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' HG21 ' A' ' 76' ' ' THR . 32.1 Cg_exo -62.51 -8.78 13.71 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.365 2.043 . . . . 10.0 112.573 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -69.01 -30.46 68.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.346 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 81' ' ' GLY . 7.2 pt-20 -108.73 176.33 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 77.1 mt 73.76 -23.53 0.22 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.229 0.612 . . . . 10.0 111.414 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.89 40.55 6.2 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.893 -0.67 . . . . 10.0 113.084 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 mtt -75.17 116.12 15.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -115.0 -176.92 3.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 10.0 111.756 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.24 140.28 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.798 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 64.77 29.92 12.52 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.422 0.451 . . . . 10.0 110.949 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.56 148.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.81 122.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.048 0.452 . . . . 10.0 112.056 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.74 135.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.29 157.12 17.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.058 0.456 . . . . 10.0 111.606 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.26 123.75 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.945 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -136.48 159.15 42.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.347 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.65 140.14 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 10.0 111.077 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.403 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -79.39 163.05 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -69.26 -24.27 63.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.493 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.66 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.252 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.274 -179.634 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.573 0.225 . . . . 10.0 110.673 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -137.68 93.89 12.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.327 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.569 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 6.8 Cg_exo -76.09 131.85 13.46 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.275 2.65 . . . . 10.0 112.656 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.0 139.03 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.1 t -111.4 130.92 64.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.252 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.601 -179.46 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 18.6 m-85 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.2 mm -97.81 125.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 5.3 ttpm? -104.33 117.38 34.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.96 0.41 . . . . 10.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.29 138.89 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.688 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -94.93 106.0 17.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.714 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.3 t -95.42 122.5 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.72 112.72 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.646 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.61 159.97 37.16 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.501 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -68.87 -14.48 63.06 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.224 0.535 . . . . 10.0 110.628 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -95.77 9.27 41.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.75 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 m 66.64 51.51 1.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.818 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -118.46 142.11 47.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.013 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 6.1 mt-10 -88.74 85.96 6.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mm -81.6 104.93 10.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 23.9 m170 -91.15 85.12 5.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.271 0.558 . . . . 10.0 110.431 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.61 116.41 21.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.964 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.24 115.84 27.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 7.7 m -105.34 161.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 10.0 112.048 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.06 117.46 34.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.768 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.0 tpp -72.82 79.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.076 0.465 . . . . 10.0 111.161 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 175.43 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.372 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -94.11 146.76 23.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.895 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.57 154.45 38.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.121 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.27 -4.73 27.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.061 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 36.7 tptt -57.96 -53.92 52.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.196 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -64.16 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.723 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.21 -41.93 89.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.94 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.09 -45.69 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.817 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.08 -35.09 73.95 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.941 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.8 m -64.77 -37.1 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 10.0 110.413 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.046 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -59.93 -45.41 92.67 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.991 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.55 -37.93 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.781 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -64.35 -34.45 78.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -87.29 -12.04 47.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.838 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.97 27.15 51.2 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.176 -0.535 . . . . 10.0 112.602 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.86 155.76 72.41 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.52 166.72 27.61 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.007 1.804 . . . . 10.0 111.793 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.0 ttt -75.96 156.65 33.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.758 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.7 t30 74.76 4.0 4.29 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.919 0.762 . . . . 10.0 111.693 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -90.79 -17.43 26.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.266 0.555 . . . . 10.0 109.907 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.442 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.9 ptt-85 -103.03 127.83 50.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.177 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -94.92 111.53 23.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.445 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.6 mt -102.51 121.0 41.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.203 0.525 . . . . 10.0 111.596 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -123.36 108.23 12.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.027 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 65.96 21.47 11.33 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.92 -20.36 48.16 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.783 -0.723 . . . . 10.0 112.474 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -91.09 155.67 18.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.24 -0.281 . . . . 10.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -98.19 129.81 44.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.22 0.533 . . . . 10.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.7 118.57 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.452 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.77 172.35 12.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.6 m-20 -74.87 -24.89 58.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.621 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.83 20.68 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.464 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.59 148.65 23.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.791 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.587 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -123.32 146.54 49.73 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.434 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.0 -13.61 40.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.425 2.083 . . . . 10.0 112.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -73.9 -36.38 64.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.0 pt-20 -83.82 174.37 10.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.542 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 91.8 mt 71.65 -53.09 0.69 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.404 0.681 . . . . 10.0 111.257 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.4 56.45 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.3 mtt -82.0 131.26 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.5 mm-40 -123.15 179.78 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.136 0.493 . . . . 10.0 111.463 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 19.3 tp10 -74.14 140.97 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.392 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 67.35 23.59 9.19 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.576 0.548 . . . . 10.0 110.359 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -71.22 159.63 34.29 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.553 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -114.19 130.63 68.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.146 0.498 . . . . 10.0 111.62 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 17.1 tt -136.83 141.21 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.45 149.08 26.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.922 0.391 . . . . 10.0 111.749 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -129.59 122.92 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.494 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -128.08 159.83 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.608 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -79.14 126.47 30.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.233 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.442 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -72.98 148.04 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -65.57 -17.37 64.53 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.118 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.94 -26.81 64.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.793 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.112 -179.799 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.44 0 CA-C-O 120.649 0.262 . . . . 10.0 110.604 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -129.46 110.5 17.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.129 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.2 Cg_endo -80.04 124.47 5.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.823 2.348 . . . . 10.0 111.457 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.1 mt -120.12 122.95 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 28.5 t -108.34 120.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.131 -0.692 . . . . 10.0 109.131 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 10.0 111.325 -179.403 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mm -83.38 129.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.8 ttpm? -100.0 112.61 24.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.273 0.558 . . . . 10.0 111.167 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.2 mt -100.96 143.4 31.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.208 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -96.92 108.26 20.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.741 0.305 . . . . 10.0 110.503 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.2 t -89.95 121.75 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -103.07 120.53 53.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.682 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.35 176.27 35.37 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.363 -0.695 . . . . 10.0 111.363 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.68 -20.09 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.015 0.436 . . . . 10.0 111.058 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.57 5.78 30.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m 63.67 72.29 0.47 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.7 179.46 4.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.924 -1.035 . . . . 10.0 110.322 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 1.0 OUTLIER -138.22 53.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.406 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.8 mm -63.61 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -109.36 99.83 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.501 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.42 113.93 26.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.396 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -89.05 102.42 15.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.044 0.449 . . . . 10.0 109.821 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.6 m -98.78 167.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.809 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -103.43 124.25 48.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.283 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.505 ' O ' ' HB ' ' A' ' 41' ' ' THR . 54.6 tpp -80.65 74.77 7.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.19 0.519 . . . . 10.0 110.764 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.7 t 174.79 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.794 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -93.46 151.69 19.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.874 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -63.3 149.03 46.66 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.021 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -68.89 -6.98 30.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.751 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.1 tptt -56.37 -52.36 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.22 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -66.7 -29.69 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.042 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.01 -44.47 54.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.436 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -60.15 -47.63 85.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.508 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.97 -39.16 93.07 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.154 -0.218 . . . . 10.0 110.961 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.3 m -63.07 -37.58 87.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.625 0.25 . . . . 10.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . 0.439 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.3 t80 -65.75 -39.96 91.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.0 m -62.83 -43.1 99.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.75 -38.79 92.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -61.32 -40.33 93.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.562 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.1 mm100 -78.33 -26.21 46.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 10.0 110.58 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.17 34.07 7.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.932 -0.651 . . . . 10.0 112.046 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.68 156.29 80.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.58 163.77 35.58 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.2 1.934 . . . . 10.0 111.124 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttt -75.94 157.04 33.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 10.0 110.816 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 71.45 19.47 5.18 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.656 0.782 . . . . 10.0 111.596 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.3 p -97.95 -35.54 10.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.9 mt -111.84 143.63 42.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.848 -1.069 . . . . 10.0 109.959 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.9 ptt180 -110.33 127.72 55.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -91.76 119.96 32.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.905 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -110.27 118.62 36.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.257 0.551 . . . . 10.0 111.372 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -119.21 111.76 18.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 62.7 26.79 15.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.2 0.524 . . . . 10.0 110.155 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.5 -26.03 19.91 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.973 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -85.43 138.45 32.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.669 0.271 . . . . 10.0 110.797 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -81.89 129.7 34.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.079 0.466 . . . . 10.0 110.137 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.43 123.24 22.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.701 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 166.44 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.834 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.9 m-20 -72.87 -27.57 61.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.911 0.386 . . . . 10.0 110.963 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -92.41 11.91 24.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.464 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -84.41 151.29 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.823 0.344 . . . . 10.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 70.9 p -126.25 158.02 68.08 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.992 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.9 -14.36 38.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.467 2.111 . . . . 10.0 112.101 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.79 -43.78 65.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.11 172.53 13.09 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 mt 74.25 -47.16 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.107 0.563 . . . . 10.0 110.364 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.64 46.56 0.9 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.165 -0.541 . . . . 10.0 112.659 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.7 mtt -75.92 113.18 13.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.718 0.294 . . . . 10.0 110.644 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 31.6 mm-40 -109.06 175.49 5.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.703 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.517 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 15.7 tp10 -70.0 143.18 52.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 67.4 22.54 9.4 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.479 0.487 . . . . 10.0 111.299 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -77.85 159.74 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.361 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -109.13 130.68 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.14 0.495 . . . . 10.0 112.206 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 18.6 tt -133.87 135.88 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -105.33 152.7 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 10.0 111.617 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.36 124.4 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.657 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -130.59 169.08 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.891 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.91 141.49 28.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.662 0.268 . . . . 10.0 110.692 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.518 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.0 mm-40 -77.95 161.98 27.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.149 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -68.16 -21.91 64.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.087 0.47 . . . . 10.0 110.582 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -32.51 60.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 C-N-CA 121.077 -0.583 . . . . 10.0 112.523 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 8.5 ptp180 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.898 0.38 . . . . 10.0 110.824 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -137.53 112.15 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.174 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.98 105.22 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.979 2.453 . . . . 10.0 112.725 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 48.1 mt -96.61 120.3 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.16 131.23 73.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.245 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.739 0.304 . . . . 10.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -100.92 132.85 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.072 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 9.5 ttpp -114.38 99.48 7.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 10.0 110.661 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.41 155.4 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.937 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 50.9 mtpt -109.48 108.79 19.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 t -95.19 114.33 31.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -84.21 113.43 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.978 0.418 . . . . 10.0 110.52 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.77 169.13 42.32 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.446 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.38 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.029 0.443 . . . . 10.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.49 21.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.475 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 60.61 36.61 19.69 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.911 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.4 157.6 16.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.051 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -119.74 75.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.81 124.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.758 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.452 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 4.4 m170 -97.65 84.26 3.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.414 0.626 . . . . 10.0 110.096 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -79.26 114.02 17.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.332 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -88.29 109.58 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -105.15 164.65 3.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.815 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -105.92 118.63 37.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.434 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.6 tpp -74.07 78.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.333 0.587 . . . . 10.0 110.769 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.2 t 175.74 -25.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.544 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -94.76 143.17 26.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.333 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.93 153.56 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.666 0.27 . . . . 10.0 110.617 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.35 -8.51 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.714 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 27.1 tptt -58.78 -52.61 64.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 10.0 110.399 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -68.0 -32.04 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.436 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.07 -46.12 78.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.6 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.847 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 pt-20 -68.08 -35.37 78.08 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.807 -0.357 . . . . 10.0 111.309 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.7 m -65.69 -36.65 84.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.911 0.386 . . . . 10.0 110.447 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.87 -36.37 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.049 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -63.35 -44.62 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.057 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 74.7 mt-30 -62.22 -34.78 77.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.511 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HG2' HD11 ' B' ' 362' ' ' ILE . 22.4 tpt180 -66.8 -42.19 86.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.809 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -78.91 -12.15 60.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.217 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.89 30.62 42.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.394 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.79 153.9 81.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 122.85 -0.206 . . . . 10.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.76 165.63 31.47 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.281 1.987 . . . . 10.0 111.113 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 17.2 ttt -76.09 160.55 29.67 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.307 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 59' ' ' MET . 6.1 m-20 74.66 9.66 4.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.208 0.603 . . . . 10.0 111.604 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 p -92.66 -38.25 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.172 0.51 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 mt -113.51 148.37 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.714 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 18.7 ptt-85 -110.18 133.59 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.407 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.66 118.74 32.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.52 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 54.6 mt -106.82 130.47 54.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.109 0.481 . . . . 10.0 111.028 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -137.65 115.28 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.904 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 61.8 30.2 18.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.049 0.452 . . . . 10.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.07 -24.83 16.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.553 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -88.55 164.6 15.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -107.16 132.7 52.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.893 0.378 . . . . 10.0 110.331 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.89 122.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.389 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 174.71 11.3 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 m-20 -82.25 -15.41 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.019 0.437 . . . . 10.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -109.27 20.78 17.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 148.05 25.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.436 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 142.05 31.61 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.409 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.98 -15.81 29.31 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.65 2.233 . . . . 10.0 113.002 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -79.5 -21.41 45.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 10.0 110.403 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.51 168.06 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.703 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 71.82 -50.22 0.69 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.717 0.636 . . . . 10.0 111.145 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.86 57.99 0.25 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.559 -0.616 . . . . 10.0 111.559 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.3 mtt -84.63 122.77 29.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 10.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -115.24 -175.67 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.9 142.98 39.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 19.5 mm-40 60.85 33.29 20.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.02 0.438 . . . . 10.0 110.754 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.41 158.43 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.215 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.48 130.7 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.134 0.492 . . . . 10.0 111.95 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 tt -134.13 133.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 1.7 mt-10 -100.44 151.93 20.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.978 0.418 . . . . 10.0 111.339 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.23 118.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.67 165.0 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -76.39 134.42 39.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.982 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.5 mm-40 -76.57 165.1 25.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.353 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.82 -36.34 83.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.488 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 p -65.84 -48.64 70.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.7 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.813 179.584 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 . . . . . 0 C--O 1.234 0.27 0 CA-C-O 121.179 0.514 . . . . 10.0 111.131 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -128.33 111.19 19.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.234 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 62.4 Cg_endo -76.31 134.82 16.07 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.973 2.448 . . . . 10.0 112.481 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 54' ' ' ARG . 25.4 mt -135.6 125.77 42.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 14.1 t -108.3 134.13 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.248 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 10.9 pt . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.457 . . . . 10.0 111.63 -179.724 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.491 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 16.2 mm -84.45 130.67 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.368 . . . . 10.0 110.476 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . 5.0 mtpm? -103.76 111.22 23.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.7 130.27 45.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.726 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -91.48 113.88 26.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 10.0 111.131 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.416 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.0 t -98.58 118.41 45.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.327 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.9 mm -95.57 119.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.836 0.35 . . . . 10.0 111.119 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.62 165.57 26.02 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.747 -0.74 . . . . 10.0 111.649 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 10.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.54 13.39 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.624 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m 66.19 40.0 4.01 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.44 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.87 154.58 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.096 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 37.5 mt-10 -125.51 69.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.976 -0.749 . . . . 10.0 108.976 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 35.9 mm -67.85 135.45 28.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.696 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.492 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.8 OUTLIER -110.57 94.17 4.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.132 0.492 . . . . 10.0 110.013 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.54 113.66 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.221 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -86.02 99.14 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 17.0 m -97.99 159.39 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.505 0.669 . . . . 10.0 112.337 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -102.63 118.35 36.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.801 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.52 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.0 tpp -76.51 84.41 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 10.0 111.651 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.0 t 171.11 -36.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.84 178.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -87.28 143.88 27.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.274 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -61.72 152.5 30.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.599 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.13 -8.43 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.646 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 39.9 tptt -56.52 -48.32 77.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.113 0.482 . . . . 10.0 110.06 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -69.79 -31.96 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.852 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.49 -44.99 66.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.18 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -60.08 -46.81 88.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.219 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.88 -37.74 84.96 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.275 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.0 m -63.0 -38.46 91.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.729 0.3 . . . . 10.0 110.959 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -67.59 -40.64 84.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.728 0.299 . . . . 10.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 60.9 m -61.92 -45.83 92.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 10.0 110.104 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -68.47 -25.42 64.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -70.32 -41.67 72.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -74.87 -26.53 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.398 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.97 29.41 8.59 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.915 -0.659 . . . . 10.0 111.877 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.43 154.48 79.26 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.99 169.31 15.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.342 2.028 . . . . 10.0 111.479 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -80.46 158.27 25.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.893 -0.323 . . . . 10.0 110.456 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 74.25 9.39 4.5 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.798 0.687 . . . . 10.0 111.387 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -90.59 -40.77 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.473 0.654 . . . . 10.0 109.61 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 mt -107.02 138.76 42.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.3 ptt-85 -102.15 126.98 49.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -91.34 117.92 30.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.284 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.56 131.0 55.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.182 0.515 . . . . 10.0 111.3 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -136.29 114.48 11.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.21 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 61.8 31.16 18.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.365 0.602 . . . . 10.0 110.699 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.55 -25.77 12.29 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.693 -0.685 . . . . 10.0 113.182 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -85.13 152.06 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.673 0.273 . . . . 10.0 110.979 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -93.76 128.08 39.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.158 0.504 . . . . 10.0 109.932 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.7 mm -68.92 121.65 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.99 176.0 8.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.0 m-20 -84.2 -12.51 54.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.467 0.651 . . . . 10.0 110.06 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -105.4 27.35 8.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.547 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.42 138.75 33.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.83 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.621 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.4 139.47 25.39 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.74 -7.8 8.13 Favored 'Trans proline' 0 N--CA 1.477 0.554 0 C-N-CA 122.657 2.238 . . . . 10.0 113.426 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -85.63 -16.79 38.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.331 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.2 pt-20 -103.32 176.01 5.29 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.939 -0.305 . . . . 10.0 110.642 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -63.35 0.43 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.844 0.715 . . . . 10.0 110.336 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.16 59.79 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.056 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -96.99 128.53 44.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.691 0.281 . . . . 10.0 110.373 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.2 mm-40 -132.75 179.09 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.788 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.475 ' OE2' ' HB2' ' A' ' 23' ' ' LYS . 52.1 tp10 -65.06 137.04 57.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.657 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 65.7 36.77 6.12 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.713 0.633 . . . . 10.0 111.416 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -84.52 171.4 12.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.143 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.57 125.46 73.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.896 0.379 . . . . 10.0 111.323 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.2 tt -128.11 136.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.514 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -102.47 151.97 21.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.874 0.369 . . . . 10.0 111.103 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -140.22 123.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.929 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.15 160.93 36.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.51 133.35 33.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.948 0.404 . . . . 10.0 110.697 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.474 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.7 mm-40 -73.38 155.35 39.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.382 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.42 -17.52 64.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -18.06 60.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.488 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.427 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 91.9 mtt180 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.762 0.315 . . . . 10.0 111.455 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -159.16 112.14 1.56 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.358 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.3 Cg_endo -82.1 115.84 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.443 2.095 . . . . 10.0 112.075 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 24.2 mt -107.73 123.49 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.38 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.61 131.58 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 10.0 111.975 -179.019 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -95.89 126.54 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.446 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.4 ttpm? -108.45 106.52 16.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.62 137.74 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.077 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -97.97 111.17 23.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.823 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.57 119.94 41.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.654 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mm -95.49 113.08 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.48 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.47 170.8 41.05 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.056 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -63.78 -21.73 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 10.0 111.007 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -91.78 12.23 22.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.794 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 m 65.97 49.95 1.54 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.47 167.34 12.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.418 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 15.5 tt0 -133.01 65.66 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.0 mm -68.03 134.75 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.033 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -104.17 102.45 12.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.607 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CZ ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -95.66 114.34 26.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.795 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -89.82 102.79 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.2 160.48 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.024 0.44 . . . . 10.0 111.357 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -108.4 139.89 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.224 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.501 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.2 tpp -81.21 79.77 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' A' ' 40' ' ' MET . 13.7 t 169.54 -20.49 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 148.18 22.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.761 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -72.51 148.52 44.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.6 -3.83 30.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.135 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 15.7 tttp -57.8 -53.48 57.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.373 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -64.0 -32.68 74.3 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.45 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 2.9 mm? -64.99 -39.71 93.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.134 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.58 -50.67 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.754 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -69.31 -36.46 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.459 -179.029 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.1 m -62.41 -40.94 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.793 0.33 . . . . 10.0 110.716 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -65.9 -37.78 87.0 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.17 -42.96 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.0 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.69 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.063 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -60.32 -40.97 92.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.351 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.26 -24.7 29.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.624 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.5 41.85 4.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.211 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -131.71 155.35 81.53 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.08 167.14 18.79 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.307 2.005 . . . . 10.0 112.218 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.91 136.69 56.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.253 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.36 24.61 8.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.257 -0.883 . . . . 10.0 112.781 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -83.89 -29.51 27.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.47 0.652 . . . . 10.0 109.715 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.6 mt -115.84 138.87 50.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.173 -0.922 . . . . 10.0 110.457 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -100.92 126.25 47.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.838 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -91.71 116.08 28.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.649 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.1 mt -103.03 118.52 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.29 0.567 . . . . 10.0 111.3 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -123.8 112.4 17.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.349 -0.841 . . . . 10.0 108.888 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 62.86 33.17 15.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.194 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.33 -17.42 51.99 Favored Glycine 0 CA--C 1.52 0.363 0 CA-C-N 115.943 -0.571 . . . . 10.0 113.473 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -98.21 161.5 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.607 -0.349 . . . . 10.0 110.691 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 129.97 50.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.5 mm -60.34 126.62 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 10.0 112.187 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.05 163.81 14.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.094 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -68.98 -32.96 72.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.939 0.4 . . . . 10.0 111.54 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -90.54 4.28 51.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.265 -0.272 . . . . 10.0 111.551 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.48 144.08 48.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.213 0.53 . . . . 10.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 42.0 p -118.79 158.68 46.94 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.317 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 11.7 Cg_exo -70.91 -9.43 25.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.145 1.897 . . . . 10.0 111.849 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -78.03 -40.59 38.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.922 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 9.3 pt-20 -81.61 167.72 18.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 4.0 mt 73.35 -54.49 0.69 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.766 0.666 . . . . 10.0 111.268 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.05 79.39 0.68 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.992 -0.623 . . . . 10.0 111.736 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -115.51 122.56 46.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.588 0.232 . . . . 10.0 110.478 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.4 mm-40 -124.86 -176.69 3.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 10.0 111.031 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.478 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 3.9 tp10 -68.5 145.45 54.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 67.95 21.84 8.78 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.461 0.475 . . . . 10.0 111.612 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -79.03 160.34 27.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.604 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.77 135.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.051 0.453 . . . . 10.0 111.842 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -135.33 141.21 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.344 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.93 148.93 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.828 0.347 . . . . 10.0 111.28 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.95 122.66 54.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.187 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -132.8 157.38 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.849 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.98 142.86 31.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.62 0.248 . . . . 10.0 110.764 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.11 155.23 32.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.983 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -21.21 62.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.067 0.461 . . . . 10.0 110.332 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -5.86 52.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.42 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.472 179.811 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.5 ptp85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.146 0.498 . . . . 10.0 111.922 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -119.02 113.87 35.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.378 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.93 123.45 5.19 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.659 2.24 . . . . 10.0 113.41 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.23 122.93 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.716 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.69 119.37 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.218 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.71 0.291 . . . . 10.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.9 mm -122.7 121.41 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.97 96.39 7.0 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.109 0.481 . . . . 10.0 111.181 -178.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.0 mt -83.22 150.66 26.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -107.36 104.14 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.17 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.1 t -89.55 123.0 41.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.323 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mm -91.51 114.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.714 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.74 169.23 50.37 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.839 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.99 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 10.0 111.196 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.48 18.48 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m 63.62 49.85 2.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.074 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 158.61 15.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.045 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.608 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.4 tt0 -117.54 77.78 1.17 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 28.5 mm -74.77 127.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.329 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.533 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 27.5 m170 -99.58 87.46 3.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.22 0.533 . . . . 10.0 110.196 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.01 108.91 15.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.329 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -85.92 97.42 10.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -95.27 162.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.567 . . . . 10.0 111.687 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -105.52 120.52 41.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.448 ' O ' ' HB ' ' A' ' 41' ' ' THR . 59.0 tpp -70.56 83.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 10.0 111.258 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.5 t 170.21 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.63 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -81.66 138.25 35.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.574 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 145.69 55.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.99 -17.1 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.638 0.256 . . . . 10.0 111.157 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -54.88 -45.23 74.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 10.0 109.938 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -70.34 -36.93 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.975 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -68.25 -41.35 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.123 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -59.79 -47.5 85.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.574 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.3 pt-20 -69.96 -39.52 75.94 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.966 -0.294 . . . . 10.0 111.454 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -59.44 -37.81 79.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.879 0.371 . . . . 10.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.31 -40.78 81.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.139 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.7 m -61.5 -41.83 97.89 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.265 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.2 mt-30 -60.84 -41.53 95.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.906 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -30.69 68.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.346 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -79.94 -27.97 39.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 10.0 110.957 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.35 18.68 30.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.316 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.0 m -122.07 153.5 61.08 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.51 164.78 31.51 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.48 2.12 . . . . 10.0 111.348 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.4 ttt -73.41 159.95 32.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.738 -0.385 . . . . 10.0 110.501 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t30 70.3 20.41 6.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 p -102.82 -43.9 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 10.0 110.215 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -103.47 137.49 41.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.0 ptt-85 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 10.0 109.914 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -91.5 118.44 30.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.064 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.0 mt -100.46 125.83 46.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.255 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -126.99 98.24 5.25 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.176 -0.92 . . . . 10.0 109.259 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 63.18 24.42 14.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.772 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -26.97 17.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.777 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -87.32 145.57 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.634 0.254 . . . . 10.0 110.634 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -94.79 117.9 30.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 10.0 110.063 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -56.82 126.74 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.191 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.05 168.7 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.874 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.87 -20.63 45.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.119 0.485 . . . . 10.0 110.714 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -92.54 4.51 53.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.919 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -82.62 151.44 26.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.899 0.381 . . . . 10.0 111.099 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.541 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.96 150.2 68.42 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.649 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.81 -8.67 16.29 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 122.693 2.262 . . . . 10.0 113.335 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -78.29 -20.86 50.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 10.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.8 pt-20 -110.43 -179.4 3.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.235 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.98 -10.07 0.79 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.172 0.589 . . . . 10.0 112.105 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.76 53.48 3.99 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.9 mtt -92.68 123.54 36.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.816 0.341 . . . . 10.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 5.1 mm-40 -127.49 178.53 6.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 27.4 tp10 -70.17 135.38 49.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.424 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 13.0 mm-40 76.5 17.8 1.86 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.785 0.678 . . . . 10.0 111.402 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -72.97 143.17 47.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.952 0.406 . . . . 10.0 110.109 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -95.33 131.89 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.759 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 7.3 tt -136.02 124.95 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.365 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.22 155.26 16.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.772 0.32 . . . . 10.0 111.071 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.09 126.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.123 0.487 . . . . 10.0 110.631 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.77 158.12 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.68 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -87.71 137.9 31.93 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.727 -0.389 . . . . 10.0 111.083 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.2 mm-40 -71.46 164.26 26.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.09 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 10.0 110.523 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -34.61 77.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.419 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.45 179.803 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.608 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.4 ptp180 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.02 0.438 . . . . 10.0 111.655 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -148.73 106.99 3.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.75 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 3.9 Cg_exo -79.55 135.45 11.71 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.034 2.489 . . . . 10.0 113.438 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.66 138.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.519 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 1.7 t -119.95 152.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.219 0.533 . . . . 10.0 111.792 -179.259 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.423 ' O ' HG21 ' A' ' 38' ' ' VAL . 51.0 mm -69.41 117.48 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -107.6 115.9 30.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.657 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.47 133.91 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.848 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -97.89 102.93 14.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.319 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -85.74 111.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.087 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' SER . 32.9 mm -91.1 117.32 34.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.001 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.99 162.96 32.95 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.533 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -67.73 -16.25 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.69 0.281 . . . . 10.0 111.373 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -92.69 21.23 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 10.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m 65.05 41.92 4.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.995 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 2.8 p -101.88 145.81 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.489 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.644 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 20.9 tt0 -119.49 80.99 1.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.24 0.543 . . . . 10.0 109.563 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.446 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.2 mm -74.68 126.38 35.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.693 -178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 18.3 m170 -98.89 87.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.278 0.561 . . . . 10.0 110.024 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -86.61 113.26 22.35 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.61 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.0 113.95 25.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.903 0.383 . . . . 10.0 109.978 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 22' ' ' ILE . 5.5 m -103.54 159.77 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.342 0.591 . . . . 10.0 111.471 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -95.19 122.12 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.187 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.552 ' O ' ' HB ' ' A' ' 41' ' ' THR . 6.7 tpt -73.5 74.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.283 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.7 t 168.06 -24.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.284 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.8 m -89.14 142.3 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.971 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.64 144.0 57.37 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.248 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.86 -9.68 46.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.465 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 32.2 tptt -59.43 -45.75 90.67 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 177.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -66.66 -39.58 88.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.943 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.24 -47.26 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.6 -50.4 73.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.307 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 25.1 pt-20 -67.23 -36.5 81.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.807 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -70.63 -33.23 70.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 10.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -66.68 -39.25 88.05 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.17 -40.5 90.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.831 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 76.3 mt-30 -63.96 -36.83 85.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.477 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.1 -36.61 84.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.44 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -79.63 -18.9 50.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.449 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.3 27.73 24.57 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.434 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.47 156.84 79.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.835 0.317 . . . . 10.0 110.546 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.73 167.61 26.06 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.288 1.992 . . . . 10.0 111.669 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 19.9 ttt -75.09 162.77 28.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 59' ' ' MET . 5.1 m-20 72.47 15.55 5.09 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.245 0.618 . . . . 10.0 111.558 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 p -99.15 -45.43 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.623 . . . . 10.0 109.649 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 mt -108.3 142.83 38.02 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.158 -0.928 . . . . 10.0 110.744 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.5 ptt-85 -111.85 132.49 54.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -95.22 121.76 37.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.129 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -106.64 121.67 44.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.058 0.456 . . . . 10.0 111.131 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -127.93 117.75 22.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.096 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 65.18 19.55 11.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 123.431 0.457 . . . . 10.0 111.645 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.39 -22.68 38.87 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.198 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.12 169.97 9.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.489 0.185 . . . . 10.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.82 134.25 49.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -65.35 119.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.182 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.52 167.09 22.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.722 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.6 m-20 -74.78 -27.92 60.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.026 0.441 . . . . 10.0 110.77 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.31 25.1 6.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.622 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 154.1 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.022 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -139.56 153.35 70.36 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.665 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.547 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 20.9 Cg_exo -65.55 -8.62 19.71 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.395 2.063 . . . . 10.0 111.869 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -73.56 -17.54 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.792 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 76' ' ' THR . 4.6 pt-20 -118.82 175.91 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.48 -60.89 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.796 0.685 . . . . 10.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.37 76.15 0.19 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.087 -0.578 . . . . 10.0 111.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 62.2 mtt -110.98 120.04 41.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 40.2 mt-10 -118.23 -172.87 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 10.0 111.244 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.72 141.01 48.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.695 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 66.56 23.44 10.4 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.672 0.608 . . . . 10.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -75.93 133.42 40.5 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.63 133.02 32.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.234 0.54 . . . . 10.0 111.983 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 20.4 tt -133.91 146.84 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 10.0 108.294 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.96 156.9 22.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.817 0.342 . . . . 10.0 111.49 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.38 131.48 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.532 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -134.78 173.54 11.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.976 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.01 140.21 32.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.698 0.285 . . . . 10.0 110.768 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.459 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 mm-40 -73.04 155.08 40.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.023 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.91 -30.89 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 10.0 111.42 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -9.41 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.842 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.203 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.397 -179.863 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.644 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.1 ptp180 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.656 0.265 . . . . 10.0 111.308 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -143.07 118.33 6.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.194 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 69.0 Cg_endo -78.23 128.07 8.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.688 2.259 . . . . 10.0 113.03 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 12.7 mt -128.79 134.15 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.11 150.64 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 10.0 111.299 -179.825 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.181 -0.303 . . . . 10.0 110.181 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.4 ' O ' HG21 ' A' ' 38' ' ' VAL . 32.8 mm -90.08 123.83 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.13 119.85 40.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.046 0.451 . . . . 10.0 110.796 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.3 mt -103.04 142.47 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.279 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -100.24 103.42 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.448 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.3 t -87.14 112.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.9 mm -94.05 116.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.977 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.9 169.7 37.08 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.034 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -64.2 -26.8 68.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.967 0.413 . . . . 10.0 111.089 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.1 20.91 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 m 56.72 55.18 6.53 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.444 0.64 . . . . 10.0 111.78 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -111.05 138.93 46.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.645 178.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 29.5 tt0 -109.09 87.49 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.271 0.558 . . . . 10.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.442 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.6 mm -78.71 122.91 34.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.015 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.528 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 19.4 m170 -97.77 86.43 3.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.45 119.33 26.6 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.801 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -88.31 104.63 16.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 22' ' ' ILE . 6.1 m -99.17 163.22 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.6 0.714 . . . . 10.0 112.112 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.71 123.94 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.871 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 tpt -79.37 63.27 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.131 0.491 . . . . 10.0 110.877 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -176.84 -29.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -89.05 148.39 23.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.811 0.338 . . . . 10.0 110.69 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -66.03 154.16 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.425 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.55 -10.37 44.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.488 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -57.47 -45.73 84.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 10.0 109.958 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -65.88 -33.62 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.117 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.4 -45.42 31.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.277 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -65.29 -39.6 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.556 0.217 . . . . 10.0 111.429 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -71.22 -33.24 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.667 0.27 . . . . 10.0 111.237 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.87 -38.49 91.27 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 60.2 m -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.081 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.63 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.252 0.549 . . . . 10.0 110.133 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.73 -40.65 95.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.612 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.53 -29.49 63.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.895 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.41 28.68 10.24 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.066 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 m -136.28 153.22 76.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.45 161.98 29.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.28 1.987 . . . . 10.0 111.987 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.517 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 18.4 ttt -70.84 153.52 42.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.652 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 59' ' ' MET . 1.8 m-20 81.3 -9.0 1.33 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.931 0.892 . . . . 10.0 111.884 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 m -75.41 -28.06 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.221 0.534 . . . . 10.0 109.934 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.0 mt -113.04 135.84 53.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.222 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.5 ptt-85 -102.9 132.97 48.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.151 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 46.4 m-85 -95.33 117.13 29.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.895 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.84 118.34 36.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.175 0.512 . . . . 10.0 110.775 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -136.93 123.78 21.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 63.71 17.92 10.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.403 0.439 . . . . 10.0 110.853 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.94 -8.34 80.01 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.108 -0.567 . . . . 10.0 111.997 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -100.81 165.97 11.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.361 . . . . 10.0 110.57 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -95.59 122.26 38.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.632 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.4 ' HB ' ' HB2' ' A' ' 64' ' ' PHE . 32.9 mm -68.37 116.6 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.028 0.442 . . . . 10.0 110.778 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.33 162.23 18.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.85 -22.34 64.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.697 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -93.52 5.1 52.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.174 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.19 149.76 27.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 10.0 111.025 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -123.5 143.14 40.73 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.763 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -13.69 28.68 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.587 2.191 . . . . 10.0 113.043 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -22.34 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.289 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -106.19 179.3 4.31 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 54.7 mt 71.08 -61.86 0.47 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.751 0.657 . . . . 10.0 111.064 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.79 72.18 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.389 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.1 mtt -116.88 123.51 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -130.1 -171.05 2.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.237 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -73.73 144.76 45.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.74 30.24 16.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.933 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.24 154.11 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.426 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.37 132.03 59.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.7 tt -136.99 142.29 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.17 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.56 153.03 24.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.982 0.42 . . . . 10.0 111.046 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.31 134.1 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.124 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -137.95 171.39 14.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.616 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -88.62 136.86 32.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.799 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.406 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 9.2 mm-40 -77.93 151.26 33.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.17 -36.56 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.606 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -69.08 -27.51 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.039 0.447 . . . . 10.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.501 0 C-N-CA 120.722 -0.751 . . . . 10.0 111.326 -178.795 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 31.8 mtp180 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 120.558 0.218 . . . . 10.0 110.673 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -128.7 108.54 18.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.978 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.9 Cg_exo -77.31 124.93 7.43 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.877 2.385 . . . . 10.0 112.156 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.08 130.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.788 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 12.5 t -130.04 129.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 10.0 111.238 -179.503 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.22 117.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 4.3 ttpm? -104.5 117.17 33.49 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.882 0.373 . . . . 10.0 110.788 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.7 mt -103.76 136.22 43.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.731 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -90.76 109.94 21.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.255 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.05 112.55 29.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.342 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -81.41 119.85 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.433 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -91.53 169.16 32.58 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 10.0 112.682 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -65.71 -32.06 73.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 10.0 111.454 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.75 29.75 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.395 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m 63.09 30.74 16.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.694 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.433 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -85.39 158.09 20.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.664 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -133.88 75.8 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.87 130.34 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.009 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.672 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.8 m170 -104.66 98.25 8.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.106 0.479 . . . . 10.0 110.981 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.62 122.07 32.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.102 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -94.88 100.89 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.04 167.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.102 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -112.05 133.17 54.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.54 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.3 tpp -74.95 83.94 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.474 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 171.1 -26.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.94 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -93.36 145.0 24.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -70.01 150.56 46.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.097 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.2 mt -66.85 -9.61 39.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.988 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 9.8 tptt -52.96 -53.13 54.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.841 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.342 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.85 -41.96 70.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.074 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.8 -44.68 96.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.591 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.67 -35.42 72.83 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.763 -0.375 . . . . 10.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.2 m -64.96 -36.8 85.57 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.857 0.361 . . . . 10.0 110.418 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -65.36 -39.35 92.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.104 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.9 m -59.56 -41.98 91.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.183 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.56 -39.09 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -65.91 -29.84 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.298 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.95 -11.86 46.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.96 65.78 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 113.03 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 m -131.92 152.01 79.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.81 165.06 29.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.271 1.981 . . . . 10.0 111.995 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 8.4 ttt -70.99 165.95 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 10.0 111.474 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' MET . 2.2 m120 74.97 0.91 3.66 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.421 -0.808 . . . . 10.0 112.075 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.5 p -87.96 -43.8 11.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.302 0.573 . . . . 10.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.2 mt -103.06 138.46 39.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.143 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.9 ptt-85 -107.89 137.19 46.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.311 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.7 120.5 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.345 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -112.06 107.03 15.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.072 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -114.55 117.06 29.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.343 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 64.17 19.62 11.85 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.13 0.49 . . . . 10.0 110.379 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.27 -8.33 79.43 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.002 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.44 147.67 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -83.3 108.48 16.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.735 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 mm -60.82 118.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.192 0.52 . . . . 10.0 111.91 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.0 169.02 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.3 m-20 -73.92 -34.67 64.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.011 0.434 . . . . 10.0 111.394 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.2 7.25 22.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.687 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -79.38 143.75 34.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.033 0.445 . . . . 10.0 111.035 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.2 146.28 44.09 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.154 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.25 -11.78 27.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.448 2.099 . . . . 10.0 112.015 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.65 -37.5 82.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.572 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 1.1 pt-20 -97.72 -177.07 3.66 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 25.2 mt 71.18 -60.53 0.51 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.529 0.518 . . . . 10.0 110.695 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.51 64.54 0.12 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.095 -0.574 . . . . 10.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.1 mtt -99.63 126.8 45.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.53 -173.4 3.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.68 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -77.0 145.35 38.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.055 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 66.73 23.19 10.21 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.747 0.655 . . . . 10.0 111.611 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.55 163.94 24.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.72 134.89 62.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.012 0.434 . . . . 10.0 111.55 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -134.19 134.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -98.06 145.92 26.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.951 0.405 . . . . 10.0 111.735 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.6 p -131.54 131.4 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.794 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -138.07 163.74 30.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.875 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -85.35 135.29 33.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.875 0.369 . . . . 10.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.402 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 7.8 mm-40 -69.23 154.9 41.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.746 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.803 . . . . 10.0 111.411 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.16 -23.24 57.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 10.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.229 -179.623 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.516 0.198 . . . . 10.0 110.729 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -139.13 141.4 29.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.265 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.672 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 9.5 Cg_endo -88.94 133.77 2.53 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.081 2.521 . . . . 10.0 113.12 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.43 126.3 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.676 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 6.8 t -124.33 126.12 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 6.2 pt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.65 0.262 . . . . 10.0 110.826 179.751 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.387 -0.227 . . . . 10.0 110.387 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -105.65 127.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -99.39 110.0 22.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.093 0.473 . . . . 10.0 111.974 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -101.19 133.7 45.34 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -100.33 113.27 25.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.156 0.503 . . . . 10.0 111.44 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.9 t -96.64 118.52 43.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.66 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -88.43 106.81 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.89 0.376 . . . . 10.0 110.238 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.22 178.37 41.24 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 10.0 112.547 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -65.01 -28.88 69.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.807 0.337 . . . . 10.0 111.33 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.66 11.1 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.7 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m 62.8 54.68 2.23 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.543 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.28 160.3 14.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.073 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.562 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 17.0 mt-10 -104.08 73.15 1.12 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.957 0.408 . . . . 10.0 109.929 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 36.4 mm -74.9 108.88 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.053 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.7 OUTLIER -91.62 98.03 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.073 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CE1' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -86.46 113.52 22.47 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.481 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -85.45 92.27 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.4 m -96.07 164.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.309 0.576 . . . . 10.0 111.809 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -108.1 128.16 54.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.161 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.472 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -75.69 84.37 2.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.237 0.541 . . . . 10.0 111.307 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 40' ' ' MET . 14.9 t 169.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.068 -0.969 . . . . 10.0 109.806 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.21 144.39 28.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.547 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 146.72 53.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.662 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.25 -17.34 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -51.91 -51.0 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.785 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -65.42 -36.56 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.292 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD13 ' CE1' ' A' ' 36' ' ' PHE . 2.6 mm? -68.85 -39.13 80.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 10.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -46.21 78.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.691 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 11.7 pt-20 -66.94 -37.51 84.43 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.238 -0.185 . . . . 10.0 110.872 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 m -64.21 -37.33 87.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.893 0.378 . . . . 10.0 110.599 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.62 -42.9 98.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.974 0.416 . . . . 10.0 110.076 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.4 m -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.2 mt-30 -61.79 -40.28 94.66 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.767 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 54' ' ' ARG . 9.8 ttt85 -64.97 -39.26 93.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -77.46 -15.13 59.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.148 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.89 30.43 38.86 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.642 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.29 155.43 81.51 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -71.99 163.81 37.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.396 2.064 . . . . 10.0 111.513 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -72.71 157.79 36.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 79.31 -15.34 0.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 10.0 111.562 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.2 -32.03 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.42 0.628 . . . . 10.0 110.066 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.24 146.26 35.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.964 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' HD3' HH12 ' A' ' 63' ' ' ARG . 9.9 ptt180 -116.03 126.75 54.21 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.315 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -90.67 121.9 32.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.915 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.8 mt -109.42 127.78 54.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.112 0.482 . . . . 10.0 110.827 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -135.23 113.97 11.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.771 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 63.79 14.11 8.0 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.453 0.471 . . . . 10.0 111.898 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.95 -16.34 43.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.228 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -97.44 159.21 15.06 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -98.32 133.41 42.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 10.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.38 118.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.398 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.87 173.21 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -27.49 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.529 . . . . 10.0 110.358 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -99.08 22.57 10.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.657 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -76.22 140.71 41.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.934 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -115.71 140.96 26.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.208 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.3 -5.76 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.455 2.103 . . . . 10.0 112.792 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -89.77 -15.24 32.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 10.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.3 pt-20 -99.47 165.18 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.301 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 70.91 -66.76 0.28 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.409 0.684 . . . . 10.0 110.64 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.57 76.79 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.5 mtt -111.28 121.6 45.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -128.37 -173.47 2.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 10.0 111.123 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -69.78 137.91 52.29 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.271 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 65.22 23.12 12.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.881 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.79 154.62 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.96 126.43 61.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.4 tt -131.34 143.3 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.086 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -112.15 157.01 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.775 0.322 . . . . 10.0 111.293 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.32 129.88 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.295 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -137.36 170.75 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.435 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.67 139.77 30.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.7 168.45 19.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.015 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -64.29 -36.16 83.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 111.488 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.7 p -75.56 -27.68 58.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 10.0 111.184 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.575 -179.298 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 97.3 mtt180 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.618 0.247 . . . . 10.0 110.444 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.09 104.48 16.69 Favored Pre-proline 0 C--N 1.322 -0.628 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.328 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.7 Cg_exo -70.82 109.85 2.62 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.838 2.359 . . . . 10.0 112.314 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.87 126.26 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.9 t -125.22 128.13 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.268 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.141 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.164 -0.31 . . . . 10.0 110.164 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.3 mm -98.67 136.45 29.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.546 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -105.99 117.93 35.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.018 0.437 . . . . 10.0 111.078 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.22 125.12 46.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 17.4 mtpt -87.97 107.1 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.179 0.514 . . . . 10.0 110.857 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.28 121.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.784 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 mm -94.33 110.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.915 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.32 162.63 38.49 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.715 -0.755 . . . . 10.0 111.416 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.64 -9.9 58.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.014 0.435 . . . . 10.0 110.865 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.72 8.34 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.926 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 69.18 61.38 0.31 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.853 0.721 . . . . 10.0 110.658 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -118.13 164.78 14.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.56 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 24.3 mt-10 -132.65 74.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 27.1 mm -67.42 133.34 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.872 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.69 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.2 OUTLIER -106.28 80.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE1' HD11 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -79.33 120.15 23.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.79 0.329 . . . . 10.0 110.466 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -93.26 105.11 17.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.51 159.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.341 0.591 . . . . 10.0 112.407 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -96.3 129.11 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.145 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.486 ' O ' ' HB ' ' A' ' 41' ' ' THR . 50.9 tpp -77.91 74.23 4.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.1 t 170.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.773 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -77.6 138.74 39.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.28 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -65.78 145.12 56.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.73 -8.62 10.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.391 . . . . 10.0 112.036 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 49.9 tptt -58.5 -44.23 89.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.52 -22.7 60.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.078 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.446 HD11 ' CE1' ' A' ' 36' ' ' PHE . 3.3 mm? -82.46 -43.76 16.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.577 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -61.41 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.571 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.7 pt-20 -65.59 -39.8 92.0 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.707 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.73 -37.59 87.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.105 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.5 m -62.31 -43.2 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.78 -40.71 98.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.187 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.63 81.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 10.0 110.781 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -79.35 -10.47 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.82 33.66 29.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.031 -0.604 . . . . 10.0 112.737 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.32 157.96 76.3 Favored Pre-proline 0 C--N 1.323 -0.574 0 O-C-N 122.718 -0.283 . . . . 10.0 110.63 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.86 166.73 28.66 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.319 2.013 . . . . 10.0 110.774 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 10.8 ttt -76.37 157.97 31.87 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.655 -0.418 . . . . 10.0 110.542 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 59' ' ' MET . 8.4 m120 74.37 11.51 4.1 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.653 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -89.53 -38.05 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.88 134.62 52.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.876 -1.056 . . . . 10.0 110.208 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.9 ptt-85 -101.71 132.92 47.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.325 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -91.85 112.74 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.772 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.74 114.25 28.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.201 0.524 . . . . 10.0 111.017 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -115.33 99.79 7.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.214 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 65.54 29.33 11.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.874 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.26 -27.55 17.99 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.793 -0.639 . . . . 10.0 112.274 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -85.72 128.32 34.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.639 0.257 . . . . 10.0 110.807 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -81.07 121.59 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 10.0 109.967 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -65.05 127.98 26.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.584 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.95 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.02 -35.46 69.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.158 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.67 29.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.467 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -103.11 150.48 23.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.847 0.356 . . . . 10.0 110.63 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -126.09 150.25 68.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.142 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 16.8 Cg_exo -66.77 -4.31 10.93 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.643 2.229 . . . . 10.0 112.793 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -80.62 -22.83 40.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.681 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 76' ' ' THR . 6.8 pt-20 -107.34 -178.53 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.267 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mt 73.18 -42.22 0.52 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.492 0.717 . . . . 10.0 111.546 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.93 34.97 1.18 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.012 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . 0.402 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 61.8 mtt -75.67 127.81 33.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.719 0.295 . . . . 10.0 110.538 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.0 mm-40 -124.24 178.69 5.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.087 0.47 . . . . 10.0 111.31 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.93 136.42 50.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.257 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 65.88 31.77 9.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.025 0.44 . . . . 10.0 111.234 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.8 t0 -76.51 168.93 19.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.209 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.38 125.86 74.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 10.0 111.262 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -133.33 141.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.8 155.41 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.93 0.395 . . . . 10.0 111.482 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.85 125.23 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.333 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -134.65 163.19 30.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.425 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.73 138.67 31.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.699 -0.4 . . . . 10.0 110.365 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -77.15 159.64 29.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.577 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.0 -24.06 65.99 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.179 0.514 . . . . 10.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -20.57 62.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.875 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 121.233 -0.508 . . . . 10.0 112.607 179.711 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.56 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.8 mpt_? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.664 0.269 . . . . 10.0 110.795 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -147.29 105.6 3.81 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.087 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.69 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.2 Cg_endo -73.02 123.77 9.12 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.701 2.267 . . . . 10.0 112.809 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.93 126.69 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.15 132.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 110.426 -0.213 . . . . 10.0 110.426 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.52 117.61 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 1.8 ttpm? -101.7 114.32 28.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.108 0.48 . . . . 10.0 110.698 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -101.11 134.81 43.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.826 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -90.19 106.23 18.34 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.7 t -90.97 115.48 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.269 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -89.52 118.7 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 169.31 38.0 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.147 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -64.73 -25.36 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.815 0.34 . . . . 10.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.45 17.03 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.262 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m 67.43 32.37 5.83 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.424 0.453 . . . . 10.0 111.407 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 p -84.76 152.53 23.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.747 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.3 tt0 -115.61 72.74 0.81 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.069 0.461 . . . . 10.0 109.868 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 51.7 mm -72.34 133.42 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.854 0.359 . . . . 10.0 111.023 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 29.6 m170 -103.79 92.25 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 10.0 110.666 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CZ ' HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -86.73 113.44 22.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -93.55 111.8 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 10.0 110.512 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.36 171.76 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -117.19 137.71 52.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.442 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.4 tpp -73.3 79.17 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.472 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.5 OUTLIER 173.38 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.571 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -79.98 136.41 36.61 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.117 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 143.02 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.042 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.27 -9.56 33.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.497 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 39.0 tptt -56.65 -52.25 65.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.113 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.7 -30.58 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.03 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.412 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 3.8 mm? -68.76 -45.57 71.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.108 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -62.1 -47.46 84.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.928 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.1 pt-20 -64.96 -42.35 94.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -65.61 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.613 0.244 . . . . 10.0 110.98 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.68 -38.54 77.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 10.0 110.016 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.7 m -60.27 -41.29 92.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.954 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.58 -37.01 86.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.531 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.922 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -87.96 -4.97 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.12 35.08 61.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.209 -0.52 . . . . 10.0 112.954 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -131.66 158.29 75.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 122.853 -0.204 . . . . 10.0 110.499 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.21 167.46 26.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.184 1.922 . . . . 10.0 110.998 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 20.5 ttt -75.29 154.24 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.679 -0.409 . . . . 10.0 110.115 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 59' ' ' MET . 12.6 m120 76.85 4.36 3.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.364 0.666 . . . . 10.0 111.716 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 p -82.86 -41.52 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.357 0.599 . . . . 10.0 109.566 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.61 141.75 41.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.429 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.0 ptt180 -113.8 133.05 55.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.036 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -91.77 121.09 33.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.962 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -106.09 118.62 37.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.166 0.507 . . . . 10.0 110.447 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -126.44 119.58 27.58 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 64.65 20.31 12.1 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.582 0.552 . . . . 10.0 110.699 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.61 -14.83 64.4 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -96.52 155.69 16.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.746 0.308 . . . . 10.0 110.474 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -91.53 124.76 35.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.026 0.441 . . . . 10.0 109.912 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.11 120.01 9.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.748 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.92 166.68 20.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.261 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.8 -13.95 60.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.985 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -104.53 11.78 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -84.85 150.63 24.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 10.0 111.267 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 p -126.85 154.73 76.1 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.878 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.47 -15.75 51.03 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.269 1.979 . . . . 10.0 111.645 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.39 -37.56 71.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.7 pt-20 -91.03 174.36 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.4 mt 73.11 -47.79 0.67 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.144 0.578 . . . . 10.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.76 55.81 0.45 Allowed Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.505 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.0 mtt -85.25 128.56 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.1 mm-40 -127.48 -176.3 3.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.294 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -75.7 146.69 39.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.808 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 64.19 24.47 13.41 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.568 0.543 . . . . 10.0 110.527 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -75.72 168.01 20.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.521 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.84 128.71 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.115 0.483 . . . . 10.0 111.134 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.602 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.7 tt -133.66 129.94 55.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -95.91 150.05 20.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 10.0 111.37 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.64 126.31 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.207 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -135.57 162.94 31.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.168 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -81.09 140.32 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.005 0.431 . . . . 10.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.514 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.1 mm-40 -77.18 155.23 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.237 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.4 -32.78 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.81 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -25.35 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.829 0.347 . . . . 10.0 111.627 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.599 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.747 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.3 ptp180 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 121.065 0.459 . . . . 10.0 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -120.51 114.32 33.07 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 74.1 Cg_endo -79.66 121.83 4.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.686 2.257 . . . . 10.0 112.891 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 21.4 mt -115.64 121.36 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.727 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 13.7 t -117.98 127.51 75.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.803 0.335 . . . . 10.0 110.848 -179.865 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.5 mm -81.56 128.79 38.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 4.6 ttpm? -108.07 122.95 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.057 0.456 . . . . 10.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.3 mt -103.92 143.0 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.773 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -102.5 109.99 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.828 0.347 . . . . 10.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -91.46 125.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -87.67 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.219 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.33 152.03 25.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.622 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.95 -31.49 72.7 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.992 0.425 . . . . 10.0 111.024 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.79 7.71 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.646 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 m 68.64 68.67 0.3 Allowed 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.516 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.27 152.85 51.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.852 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 60.4 tt0 -107.32 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 10.0 109.809 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.5 mm -79.02 117.17 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.543 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.7 m170 -95.15 80.4 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.903 0.382 . . . . 10.0 110.946 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.74 114.86 20.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -88.25 110.76 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.995 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.91 165.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.189 0.518 . . . . 10.0 111.347 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -113.45 122.18 46.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.191 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.534 ' O ' ' HB ' ' A' ' 41' ' ' THR . 62.2 tpp -72.56 81.81 1.1 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.978 0.418 . . . . 10.0 110.977 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.534 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.1 t 168.06 -28.08 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.458 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -91.11 138.76 31.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.214 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.58 149.12 50.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.523 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.65 -8.25 26.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.331 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 34.7 tptt -54.28 -51.61 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.417 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -69.58 -32.42 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.041 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.811 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.3 -46.77 88.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.562 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 5.7 pt-20 -70.37 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.26 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.2 m -63.27 -34.83 78.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 10.0 110.491 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -66.76 -36.18 81.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.2 m -65.18 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.9 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -69.32 -38.17 78.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.123 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -64.66 -39.02 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -80.22 -29.35 38.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.661 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.75 39.27 6.26 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.175 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -135.51 158.92 73.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.567 -0.16 . . . . 10.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.32 164.57 30.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 10.0 111.816 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.9 ttt -75.7 155.02 36.08 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.138 -0.225 . . . . 10.0 110.557 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 t30 75.36 3.85 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.402 0.681 . . . . 10.0 111.634 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 p -83.36 -28.21 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 10.0 109.697 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 mt -121.28 141.48 50.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.369 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 25.8 ptt-85 -106.14 131.87 52.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.059 0.457 . . . . 10.0 109.886 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -93.29 116.38 28.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.366 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.45 130.73 46.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.195 0.522 . . . . 10.0 111.481 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -146.31 121.99 10.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.91 . . . . 10.0 109.387 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.5 24.34 14.03 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.54 0.525 . . . . 10.0 111.009 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.9 -23.41 29.09 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 121.069 -0.586 . . . . 10.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -96.07 175.26 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.18 134.17 52.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.079 0.466 . . . . 10.0 110.49 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.0 mm -63.5 122.26 14.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.843 . . . . 10.0 111.536 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.83 163.18 21.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.23 -18.08 61.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.043 0.449 . . . . 10.0 110.554 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -102.95 19.9 18.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -93.53 148.96 21.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.143 0.497 . . . . 10.0 111.235 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.89 147.26 58.27 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.806 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.18 -9.6 17.89 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.751 2.3 . . . . 10.0 112.792 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -77.31 -23.74 50.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.7 pt-20 -104.35 177.42 4.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 17.0 mt 72.23 -52.13 0.7 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.873 0.733 . . . . 10.0 111.612 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.74 65.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.023 -0.608 . . . . 10.0 111.748 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.5 mtt -98.23 127.35 44.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.042 0.448 . . . . 10.0 110.919 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -125.35 175.46 7.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.426 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.7 tp10 -69.87 139.76 53.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.377 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 65.64 34.84 7.4 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.46 0.475 . . . . 10.0 110.932 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.13 153.68 25.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.587 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.46 127.06 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.086 0.469 . . . . 10.0 111.599 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 tt -132.42 140.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.396 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.93 155.98 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.964 0.411 . . . . 10.0 111.464 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.37 123.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.254 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.0 159.99 35.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.183 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.69 138.15 38.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 10.0 111.615 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.481 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.6 mm-40 -78.06 154.12 31.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.618 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -73.28 -14.62 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.051 0.453 . . . . 10.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.9 p -78.96 -32.84 45.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.793 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.2 ptp180 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.516 0.198 . . . . 10.0 110.739 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 8.9 p-10 -137.32 121.25 11.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.866 0.365 . . . . 10.0 111.162 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.5 Cg_exo -77.24 114.01 3.68 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.88 2.387 . . . . 10.0 111.78 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.2 mt -99.58 119.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.142 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 24.9 t -117.87 126.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 17.2 pt . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 120.798 0.333 . . . . 10.0 111.124 -179.685 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.421 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 26.7 mm -122.86 111.47 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.607 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.2 ttpm? -91.58 105.04 17.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.084 0.469 . . . . 10.0 110.986 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.7 mt -93.23 128.76 39.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.083 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -92.56 104.07 16.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.84 0.352 . . . . 10.0 110.35 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.6 t -90.93 124.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -84.88 116.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.405 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -85.92 159.85 33.27 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.127 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.34 -28.5 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.932 0.345 . . . . 10.0 111.932 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -91.29 26.86 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m 62.16 40.54 11.66 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.291 0.567 . . . . 10.0 110.304 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' SER . . . . . 0.405 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.5 p -100.32 150.76 22.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 12.7 mt-10 -117.7 90.47 3.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.201 0.524 . . . . 10.0 109.89 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mm -81.63 104.37 10.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.402 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.624 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 28.0 m170 -87.84 77.79 8.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.381 0.61 . . . . 10.0 110.537 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.55 116.87 16.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -91.7 104.08 16.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 10.0 109.809 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 6.4 m -90.53 163.61 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.482 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -105.46 127.6 53.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.121 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.7 tpp -76.07 84.4 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.707 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.524 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.0 t 170.05 -27.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.49 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.95 150.2 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.897 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -69.99 150.57 46.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.53 -8.15 24.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.29 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 53.5 tptt -57.61 -47.98 80.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 10.0 110.233 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -67.46 -26.27 66.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.03 -43.84 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.5 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.465 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.4 pt-20 -66.81 -42.87 85.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.703 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 50.9 m -62.06 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.591 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -63.51 -43.71 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 56.4 m -63.66 -41.68 98.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.382 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 96.5 mt-30 -62.33 -34.68 77.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.406 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -73.44 -36.35 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.211 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.47 -40.18 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.625 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.43 9.94 24.48 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.16 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.13 158.48 57.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.89 166.55 24.18 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.401 2.067 . . . . 10.0 112.123 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' MET . . . . . 0.419 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 8.5 ttt -73.31 161.57 30.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.694 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 t30 80.1 -28.86 0.14 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.906 0.882 . . . . 10.0 111.678 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -31.72 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.458 . . . . 10.0 110.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.54 129.61 55.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.756 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 14.8 ptt-85 -103.61 127.37 51.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.788 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -93.85 114.22 26.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.681 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.43 122.94 42.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.229 0.537 . . . . 10.0 111.073 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -128.66 111.24 12.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.355 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 61.51 30.47 18.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.362 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.9 -34.7 4.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.888 -0.673 . . . . 10.0 112.535 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.25 159.73 21.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.614 0.245 . . . . 10.0 110.42 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -102.15 130.21 48.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.861 0.362 . . . . 10.0 110.057 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.0 mm -65.15 123.02 17.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.386 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.48 178.85 8.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.11 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 18.6 m-20 -80.36 -30.32 37.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.012 0.434 . . . . 10.0 110.678 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.55 28.66 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.431 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.81 135.94 33.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.012 0.434 . . . . 10.0 110.495 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.641 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -111.37 141.75 25.07 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.321 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.02 -13.38 27.25 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.665 2.243 . . . . 10.0 112.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.69 -34.83 65.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -90.07 -179.81 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.463 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.8 mt 72.21 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.702 0.626 . . . . 10.0 111.063 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.78 48.25 0.12 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 121.026 -0.607 . . . . 10.0 112.089 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.0 mtt -82.64 137.15 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.729 0.3 . . . . 10.0 110.637 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.0 mm-40 -138.04 -170.82 2.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.391 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.607 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 6.0 tp10 -78.38 148.67 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 61.77 27.44 16.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.036 0.446 . . . . 10.0 110.512 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t0 -74.28 157.36 35.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.514 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.9 t -120.42 127.94 75.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 10.0 111.258 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 17.7 tt -134.25 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.184 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 152.43 21.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 10.0 111.398 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.28 123.34 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.216 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.45 163.15 27.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -93.74 138.32 32.05 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.757 -0.377 . . . . 10.0 110.713 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.9 mm-40 -72.22 171.78 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.455 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -80.39 -21.37 42.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 10.0 111.084 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.4 p -72.25 -37.12 69.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 10.0 110.765 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 -178.945 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 1.8 ptp180 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.816 0.341 . . . . 10.0 111.638 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -139.23 137.14 18.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.721 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.624 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 96.6 Cg_endo -88.58 145.2 5.74 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.039 2.493 . . . . 10.0 113.497 -179.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.6 131.38 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.226 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 55.7 t -123.65 120.48 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 4.8 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 10.0 111.573 -179.409 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.7 mm -111.65 123.36 67.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 4.4 ttpm? -108.71 117.4 34.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.921 0.391 . . . . 10.0 111.073 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.55 144.0 31.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.062 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HE3' ' OE2' ' A' ' 33' ' ' GLU . 38.9 mtpt -107.96 114.89 29.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 110.931 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.38 123.56 49.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.379 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.67 114.55 29.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.915 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.84 167.58 40.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.161 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.307 0.575 . . . . 10.0 110.52 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -91.5 10.92 25.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.905 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 66.69 31.55 7.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.368 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 p -88.33 160.09 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.125 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.511 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 8.9 tt0 -122.14 82.81 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.488 . . . . 10.0 109.834 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -67.75 120.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.615 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 21.4 m170 -100.02 88.37 3.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.382 0.61 . . . . 10.0 110.643 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -86.65 118.36 26.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.411 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -95.71 111.25 23.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 10.0 109.938 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -113.41 173.67 2.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.142 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -115.88 142.23 47.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.607 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.499 ' O ' ' HB ' ' A' ' 41' ' ' THR . 53.4 tpp -77.59 79.99 4.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 10.0 110.569 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 40' ' ' MET . 4.8 t 172.15 -20.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.139 -0.937 . . . . 10.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.45 128.94 35.01 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 143.8 57.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.042 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.65 -20.52 63.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.0 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 50.6 tptt -57.03 -42.07 79.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.887 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -69.18 -35.36 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.661 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.26 -39.32 68.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.665 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.41 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.181 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.47 -37.07 77.14 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.927 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -66.01 -36.92 84.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 10.0 110.714 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.88 -36.64 83.97 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.86 -39.52 94.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.246 0.546 . . . . 10.0 109.743 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.05 -32.83 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.092 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.41 -39.82 89.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.455 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.62 -34.73 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.05 36.46 4.44 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.789 -0.72 . . . . 10.0 112.424 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.91 156.2 74.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.24 162.24 39.44 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.391 2.061 . . . . 10.0 111.618 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ttt -72.81 157.36 37.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.66 -0.246 . . . . 10.0 110.967 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 80.22 -14.7 0.82 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.18 0.992 . . . . 10.0 111.6 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -71.51 -30.52 66.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.286 0.565 . . . . 10.0 109.897 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.7 mt -116.58 129.88 56.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 9.9 ptt180 -104.01 129.97 51.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.071 0.462 . . . . 10.0 110.261 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -88.91 127.82 35.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.885 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.2 124.87 53.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.288 0.566 . . . . 10.0 111.173 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -142.81 132.57 23.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.948 -1.024 . . . . 10.0 108.367 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 64.54 18.0 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.298 0.57 . . . . 10.0 110.209 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.73 3.62 90.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.111 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -116.37 160.78 20.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -90.61 128.68 36.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.447 . . . . 10.0 110.292 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.89 119.83 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.138 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.47 165.57 23.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.442 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 13.2 m-20 -73.19 -21.84 60.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.164 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -96.07 3.24 53.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -76.32 144.18 40.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.45 . . . . 10.0 111.122 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.558 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -121.4 149.81 53.05 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.241 179.401 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.46 -14.1 40.26 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 122.671 2.247 . . . . 10.0 112.981 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.66 -29.87 65.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.523 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.4 pt-20 -100.96 -177.04 3.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt 73.12 -42.52 0.53 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.435 0.694 . . . . 10.0 111.625 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.01 46.12 0.84 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.376 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.7 mtt -80.96 123.68 28.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.826 0.346 . . . . 10.0 110.544 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 19.6 mt-10 -114.9 -177.63 3.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.074 0.464 . . . . 10.0 110.988 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -78.05 140.26 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 66.95 26.0 9.24 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.476 0.485 . . . . 10.0 110.404 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.5 t0 -73.64 162.12 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.743 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -114.27 123.75 70.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.066 0.46 . . . . 10.0 111.266 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.61 138.21 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.464 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.12 156.95 17.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 10.0 111.036 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.23 124.1 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.918 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.2 162.59 32.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -77.45 136.11 38.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.507 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 2.3 mm-40 -74.24 159.53 32.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.862 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.159 0.504 . . . . 10.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 p -71.37 -60.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.525 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.755 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mtt180 . . . . . 0 C--O 1.23 0.074 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -106.24 124.5 35.62 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.957 0.408 . . . . 10.0 110.994 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.54 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.2 Cg_endo -79.59 111.37 2.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.116 2.544 . . . . 10.0 112.741 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 33.0 mt -102.56 119.41 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.71 112.65 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.975 0.417 . . . . 10.0 111.182 -179.663 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.1 mm -113.92 125.54 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -107.68 123.8 49.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.923 0.392 . . . . 10.0 110.57 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.8 mt -106.3 149.89 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.61 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -97.14 97.47 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.51 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.5 t -89.01 111.98 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 10.0 110.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mm -89.72 116.01 30.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.458 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.45 166.95 28.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.718 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.02 -21.38 66.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.167 0.508 . . . . 10.0 110.88 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -84.38 12.3 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.85 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.3 m 58.95 61.48 2.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.508 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -133.81 153.32 51.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.222 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 32.7 tt0 -109.45 89.3 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.51 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.9 mm -74.9 119.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.746 -0.465 . . . . 10.0 109.746 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 16.5 m170 -95.14 71.56 3.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.67 -179.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.72 119.56 21.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.354 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -91.82 113.08 25.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.39 158.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.578 . . . . 10.0 111.708 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -101.66 122.87 44.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.596 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.593 ' O ' ' HB ' ' A' ' 41' ' ' THR . 56.4 tpp -74.03 89.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 10.0 111.104 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.593 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 167.67 -26.77 0.0 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.674 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 148.94 23.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -68.39 154.61 41.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.13 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.48 -12.39 52.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.241 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 35.4 tptt -53.92 -49.13 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.52 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.29 -31.38 71.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.313 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.4 -40.62 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 10.0 110.832 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.14 -44.31 92.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.701 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.2 pt-20 -66.94 -38.61 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.779 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -65.38 -34.5 78.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 10.0 110.741 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.79 -43.44 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.7 m -63.02 -42.89 99.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 97.1 mt-30 -61.31 -44.37 97.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.778 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -64.5 -43.17 94.95 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -67.95 -37.42 81.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.798 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.51 6.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.03 -0.605 . . . . 10.0 111.822 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -126.58 157.34 71.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.69 156.72 60.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.243 1.962 . . . . 10.0 111.503 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.09 149.93 49.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.135 -0.226 . . . . 10.0 110.616 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 79.73 0.07 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.993 0.808 . . . . 10.0 112.241 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.1 p -82.19 -25.85 33.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.246 0.546 . . . . 10.0 110.023 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.8 mt -119.07 143.77 46.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.287 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.509 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.7 ptt-85 -116.09 136.95 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.933 0.397 . . . . 10.0 110.301 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -94.31 125.26 38.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.874 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -109.38 117.44 34.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.036 0.446 . . . . 10.0 111.072 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -127.64 122.62 33.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.475 -0.784 . . . . 10.0 108.943 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 65.14 17.77 11.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.0 110.278 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.47 -0.16 80.29 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.935 -0.65 . . . . 10.0 112.298 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -108.07 160.94 15.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -95.05 122.9 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 10.0 110.717 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.69 126.07 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.967 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.8 -176.05 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.386 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 4.3 m-20 -94.89 -12.68 26.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.899 0.38 . . . . 10.0 110.9 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -104.97 16.41 25.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.18 143.22 31.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.193 0.52 . . . . 10.0 111.307 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -119.3 143.99 35.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.021 178.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.68 -6.78 11.29 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.469 2.113 . . . . 10.0 112.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.81 -30.41 45.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 10.0 110.721 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.6 pt-20 -96.18 179.26 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 15.2 mt 73.39 -41.47 0.5 Allowed 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.627 0.579 . . . . 10.0 111.598 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.53 48.86 0.89 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.063 -0.589 . . . . 10.0 111.883 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.9 mtt -89.06 123.76 33.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 10.0 111.15 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -122.0 -175.74 3.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.254 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 21.4 tp10 -71.73 138.65 48.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 9.4 mm-40 69.93 24.49 5.17 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.569 0.543 . . . . 10.0 111.385 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.42 148.57 33.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.3 t -99.26 131.75 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.9 tt -141.5 141.65 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.6 154.67 27.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.766 0.317 . . . . 10.0 111.29 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.029 0.442 . . . . 10.0 110.98 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -133.65 167.91 19.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.432 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.69 139.78 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 10.0 111.359 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' GLU . . . . . 0.509 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.3 mm-40 -79.69 155.08 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.271 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -66.98 -31.73 72.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 10.0 111.295 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -70.22 -23.49 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.377 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.823 -179.053 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 359' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 5.2 ptp180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.634 0.254 . . . . 10.0 111.116 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -128.2 112.62 19.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.187 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 361' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.5 Cg_endo -78.64 132.4 10.92 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.812 2.342 . . . . 10.0 113.346 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 10.4 mt -129.11 125.05 61.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.638 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.2 t -127.44 108.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.039 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 14.6 pt . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 10.0 111.602 -179.141 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.4 mm -122.94 117.18 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.452 ' HZ2' ' CD ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -90.36 110.89 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.859 0.362 . . . . 10.0 110.586 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.31 118.75 32.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -85.35 104.37 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.2 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.526 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 1.8 t -91.14 127.05 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.176 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 mm -83.66 106.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.51 155.06 46.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.995 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.42 -31.81 73.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 10.0 111.089 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -89.46 16.32 7.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.2 m 64.56 66.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.421 ' HA ' ' OD1' ' B' ' 358' ' ' ASN . 0.0 OUTLIER -120.1 140.92 50.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.798 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.711 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 14.7 mt-10 -94.22 76.46 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 10.0 110.331 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.417 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 28.6 mm -73.24 114.45 12.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.512 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.4 OUTLIER -99.93 93.82 5.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.804 -179.442 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.64 118.29 25.06 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.865 -0.334 . . . . 10.0 110.724 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -89.33 99.16 12.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 10.0 109.947 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.99 162.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.634 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.68 131.76 54.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.112 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.437 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.2 tpp -75.72 79.79 2.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 10.0 111.266 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.437 ' HB ' ' O ' ' A' ' 40' ' ' MET . 10.3 t 171.87 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.843 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 m -86.15 141.23 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.76 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -67.4 145.29 55.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.923 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.43 -12.55 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.779 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.449 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 51.5 tptt -57.09 -47.82 80.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.905 0.384 . . . . 10.0 110.404 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 29.9 tptt -69.07 -26.68 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.081 -178.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -77.96 -41.89 34.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.552 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -61.06 -46.49 90.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.464 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.1 pt-20 -67.38 -42.84 82.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.335 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -59.58 -36.15 75.69 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.685 0.279 . . . . 10.0 111.241 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -64.26 -44.8 90.63 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.03 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.534 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.469 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.4 mt-30 -61.98 -34.04 75.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.524 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -72.62 -39.9 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 10.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -78.55 -12.24 60.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 10.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.29 32.93 30.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.131 -0.557 . . . . 10.0 112.969 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.88 147.23 58.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 156.14 60.64 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.145 1.896 . . . . 10.0 111.076 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.53 154.6 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 81.88 -0.49 1.52 Allowed 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.96 0.788 . . . . 10.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.7 p -86.83 -32.98 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.114 0.483 . . . . 10.0 110.026 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 78.1 mt -118.45 139.0 52.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.487 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.443 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.4 ptt-85 -107.55 130.0 54.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.28 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -92.07 120.68 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.742 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -106.05 134.38 49.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.161 0.505 . . . . 10.0 111.251 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -140.59 111.36 6.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.739 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 66.43 28.13 9.69 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.644 0.59 . . . . 10.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.73 -33.38 5.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -83.87 162.95 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.623 0.249 . . . . 10.0 110.353 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -105.48 132.48 51.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.037 0.446 . . . . 10.0 110.6 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -64.79 125.88 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.569 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.67 173.01 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.449 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 11.6 m-20 -78.87 -10.57 59.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 10.0 111.464 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -107.91 17.06 22.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.26 146.24 23.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.289 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.527 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -125.58 147.49 58.39 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.108 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.04 -9.27 14.06 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.503 2.136 . . . . 10.0 113.042 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -73.4 -35.36 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.2 pt-20 -93.04 179.34 5.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.633 -0.258 . . . . 10.0 110.641 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.421 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 13.1 mt 72.41 -44.53 0.6 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.475 0.71 . . . . 10.0 111.486 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.21 39.99 0.84 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.413 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.9 mtt -73.04 137.68 45.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 10.0 110.643 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.44 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -133.42 178.76 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.033 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' CD ' ' HZ2' ' A' ' 23' ' ' LYS . 8.0 tp10 -65.97 138.16 57.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.611 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 59.3 39.24 22.69 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.584 0.553 . . . . 10.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.44 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t0 -78.09 163.35 25.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.997 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.05 128.02 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 10.0 111.324 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.526 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.4 tt -134.17 138.88 49.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.498 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.84 156.74 17.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.513 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.85 123.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.865 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.7 155.23 46.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.932 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -78.08 140.87 39.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.893 0.378 . . . . 10.0 110.856 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.443 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -76.12 157.63 32.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.406 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.1 -26.01 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.114 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -78.33 -34.03 48.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.148 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.58 -2.45 80.44 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.795 -0.717 . . . . 10.0 111.596 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.242 0 CA-C-O 118.911 -0.938 . . . . 10.0 111.147 -179.784 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . 0.551 ' OD1' ' HG3' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -151.59 41.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.433 0.635 . . . . 10.0 109.962 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.711 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 4.5 ptp180 -95.3 130.04 42.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.177 -0.92 . . . . 10.0 111.018 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -132.0 115.78 15.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.794 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.561 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 61.1 Cg_endo -77.09 128.63 9.99 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.627 2.218 . . . . 10.0 112.647 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 9.8 mt -112.69 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 23.5 t -118.32 120.49 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.769 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp -107.05 177.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.879 0.371 . . . . 10.0 110.681 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.75 127.26 55.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.771 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -81.22 111.49 17.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.109 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.69 135.26 12.1 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.181 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo . . . . . 0 C--O 1.252 1.21 0 C-N-CA 122.58 2.186 . . . . 10.0 111.971 179.553 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.3 mm -110.1 136.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 128.8 56.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 10.0 110.943 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.21 145.15 37.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.094 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -95.39 107.35 19.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.755 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.68 119.99 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.747 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.54 112.39 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.935 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.91 174.82 37.86 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.913 -0.661 . . . . 10.0 111.686 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -66.82 -24.51 66.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.964 0.412 . . . . 10.0 110.971 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.29 9.35 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.836 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 50.52 3.7 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.452 0.644 . . . . 10.0 110.706 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -97.41 167.05 11.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.406 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 33.9 mt-10 -128.95 60.0 1.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 30.3 mm -55.3 137.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.791 -178.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.59 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.1 OUTLIER -104.27 84.88 2.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.258 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -83.18 116.36 22.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.778 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -89.17 106.24 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -95.56 153.26 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.581 0.705 . . . . 10.0 111.998 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -89.6 110.68 21.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.192 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.433 ' O ' ' HB ' ' A' ' 41' ' ' THR . 2.2 tpt -73.88 73.91 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.201 0.524 . . . . 10.0 111.347 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.433 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.5 t 174.41 -18.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.981 -1.009 . . . . 10.0 109.904 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -104.82 151.01 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.623 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -69.44 155.43 40.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.914 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -72.9 -1.52 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.264 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 46.3 tptt -56.52 -55.66 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.602 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.3 tptt -66.85 -35.1 79.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.634 -179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.38 -42.86 96.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.683 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.94 -52.41 63.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.024 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' OE1' ' HE3' ' A' ' 45' ' ' LYS . 7.3 pt-20 -67.38 -35.29 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.984 0.364 . . . . 10.0 111.984 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.5 m -62.61 -39.59 94.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 10.0 110.63 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.47 -37.15 84.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.796 0.332 . . . . 10.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.06 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -64.53 -34.68 78.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -27.22 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.569 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -91.52 -11.11 38.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.54 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.23 11.61 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.231 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -141.42 153.85 66.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.3 173.66 11.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.269 1.98 . . . . 10.0 111.507 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.493 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 7.6 ttt -78.57 154.53 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.246 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.493 ' HB2' ' O ' ' A' ' 59' ' ' MET . 4.0 m120 77.51 4.88 3.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.949 0.781 . . . . 10.0 111.685 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.0 p -85.92 -41.01 15.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.465 0.65 . . . . 10.0 109.552 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.2 mt -110.16 134.72 51.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.538 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -103.96 132.78 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.361 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -92.62 126.0 37.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.893 179.31 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.97 125.87 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.21 0.529 . . . . 10.0 111.503 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -132.62 120.83 22.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.02 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.65 23.19 13.8 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.501 0.5 . . . . 10.0 111.035 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.54 -21.12 42.66 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -92.78 164.41 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -99.37 142.61 30.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.03 0.443 . . . . 10.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.86 124.57 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.001 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 167.56 15.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.56 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.507 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.4 m-20 -73.53 -16.67 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.957 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -102.94 13.05 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.305 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -84.75 145.13 28.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.205 0.526 . . . . 10.0 111.492 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -122.55 144.8 43.19 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.519 179.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.89 -10.06 21.3 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.429 2.086 . . . . 10.0 112.388 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.59 -28.84 56.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.694 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' ' HG ' ' A' ' 80' ' ' LEU . 5.9 pt-20 -104.24 -172.21 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.417 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 74.1 mt 71.45 -57.06 0.62 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.196 0.598 . . . . 10.0 110.817 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.54 0.18 Allowed Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.7 mtt -92.25 129.95 38.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.049 0.452 . . . . 10.0 110.521 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.8 mt-10 -128.35 -178.71 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.95 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -68.85 139.35 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 27.0 mm-40 64.88 27.97 12.77 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.758 0.661 . . . . 10.0 111.334 179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -72.08 156.38 39.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.557 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.62 121.61 58.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.111 0.481 . . . . 10.0 111.69 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.6 tt -132.48 133.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.349 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -105.63 154.39 20.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.949 0.404 . . . . 10.0 111.475 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.6 p -130.29 124.39 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.41 156.07 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.227 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -84.42 138.19 32.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.538 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.6 mm-40 -76.54 150.62 36.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.16 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -29.13 70.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.305 0.574 . . . . 10.0 109.901 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -17.8 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.53 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.49 -55.94 5.01 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.265 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.85 0 CA-C-O 119.057 -0.857 . . . . 10.0 111.23 179.69 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.656 0.265 . . . . 10.0 110.301 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -164.83 31.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.106 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.406 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 50.7 mtp180 -120.43 103.63 9.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.711 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.9 134.21 23.61 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.59 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -78.86 133.65 11.43 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.702 2.268 . . . . 10.0 113.442 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.65 131.23 67.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.185 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.99 137.67 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 7.6 pt -129.12 171.37 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.341 . . . . 10.0 110.953 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 47.3 m -108.88 152.79 24.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.87 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.63 152.65 42.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.198 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 7.5 m -148.76 93.42 4.25 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.279 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo . . . . . 0 C--O 1.249 1.03 0 C-N-CA 123.217 2.611 . . . . 10.0 111.823 179.425 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.22 124.62 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.431 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 2.6 ttpm? -99.5 110.22 22.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.946 0.403 . . . . 10.0 110.999 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.55 131.77 44.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.994 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -90.16 105.05 17.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 3.0 t -86.07 114.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.648 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.495 ' HA ' ' O ' ' A' ' 32' ' ' SER . 26.1 mm -95.66 111.97 27.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.21 38.35 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.436 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.2 -27.17 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.979 0.419 . . . . 10.0 111.227 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.32 15.32 5.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.9 m 63.66 49.72 2.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.375 0.607 . . . . 10.0 110.973 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -98.58 158.47 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.071 179.447 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.452 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 11.4 tt0 -129.32 70.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 10.0 109.824 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.431 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 25.7 mm -71.95 131.5 34.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.516 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 46.2 m170 -96.97 95.82 8.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.357 0.599 . . . . 10.0 110.654 -179.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 116.59 23.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.394 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -94.14 98.22 10.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -97.25 161.34 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.519 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -108.62 139.05 43.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.312 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.56 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.6 tpp -81.13 76.2 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.257 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.56 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.0 OUTLIER 170.73 -27.65 0.0 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.712 178.797 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.12 142.77 27.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.801 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.56 143.6 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.07 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.94 -11.42 38.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.7 tptt -58.02 -48.11 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.326 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -67.45 -29.01 68.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.677 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.2 -44.77 59.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.027 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.13 -48.68 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.679 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.631 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -63.02 -40.05 96.58 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.79 0.329 . . . . 10.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -63.77 -38.6 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 57.6 m -63.18 -46.86 85.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.146 179.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.439 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 78.4 mt-30 -59.66 -42.01 91.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.421 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.28 -41.11 98.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -81.91 -7.75 59.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.822 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.78 30.39 56.13 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.853 -0.689 . . . . 10.0 112.987 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.2 m -128.53 147.57 64.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.356 -0.238 . . . . 10.0 110.356 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.36 156.99 56.93 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.322 2.014 . . . . 10.0 111.317 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.496 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 9.0 ttt -69.51 153.83 42.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.78 -0.368 . . . . 10.0 110.397 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 59' ' ' MET . 3.6 m-20 77.1 8.08 2.93 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.812 0.695 . . . . 10.0 111.625 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.4 p -91.87 -26.94 18.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.486 0.66 . . . . 10.0 109.429 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -119.6 133.66 55.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.938 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.517 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.4 ptt-85 -104.35 129.02 52.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.018 0.437 . . . . 10.0 110.308 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.433 ' HB3' HD12 ' A' ' 88' ' ' ILE . 75.4 m-85 -92.43 120.63 33.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.51 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.7 mt -108.16 126.45 52.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.665 0.745 . . . . 10.0 111.754 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -130.16 115.28 16.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.827 -1.078 . . . . 10.0 108.902 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 63.34 29.62 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.746 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.58 -17.22 53.7 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 115.943 -0.572 . . . . 10.0 112.818 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -95.47 164.43 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.823 -0.222 . . . . 10.0 110.414 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -104.39 134.45 47.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 10.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.71 123.07 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.798 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.59 167.5 16.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.076 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.8 m-20 -79.23 7.18 8.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.273 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -130.22 16.94 5.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.747 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -91.32 160.48 15.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.273 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.517 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -139.46 153.83 71.03 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.945 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.55 -10.02 26.36 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.55 2.166 . . . . 10.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -77.41 -23.44 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.153 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -104.93 175.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.441 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt 70.8 -62.2 0.45 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.944 0.778 . . . . 10.0 111.228 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.82 64.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.15 -0.548 . . . . 10.0 112.137 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 36.4 mtt -94.45 131.12 40.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.742 0.306 . . . . 10.0 110.59 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.42 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.2 mm-40 -129.67 175.68 8.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.522 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 23.8 tp10 -72.45 136.87 46.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.522 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 23.9 mm-40 75.29 25.35 1.3 Allowed 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.01 0.819 . . . . 10.0 110.896 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.42 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -76.61 164.11 26.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.777 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.87 122.96 66.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.576 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.537 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 12.7 tt -130.71 121.89 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -95.38 154.35 17.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.87 0.367 . . . . 10.0 111.072 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.58 127.94 53.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.125 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -128.51 166.1 19.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.671 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -84.09 134.18 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.092 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.517 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -77.3 154.73 32.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.776 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.02 -27.65 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.64 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 p -67.73 -44.5 77.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.81 -0.21 57.74 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.718 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.809 0 CA-C-O 118.745 -1.03 . . . . 10.0 111.959 179.819 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -145.15 28.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.146 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.452 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 85.3 mtt180 -104.23 83.67 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.45 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -92.89 122.92 62.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -84.7 106.74 1.09 Allowed 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.86 2.373 . . . . 10.0 112.257 179.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.0 mt -101.86 120.02 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 10.0 111.821 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.2 137.92 52.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 3.2 pt -111.18 177.51 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.081 0.467 . . . . 10.0 111.892 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 48.9 m -107.7 123.72 48.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.397 -0.82 . . . . 10.0 110.425 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . 0.442 ' C ' ' HG ' ' B' ' 367' ' ' SER . 18.4 t70 -105.06 125.19 50.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.418 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 367' ' ' SER . . . . . 0.442 ' HG ' ' C ' ' B' ' 366' ' ' ASP . 9.0 m -148.79 91.17 4.68 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.651 -0.249 . . . . 10.0 110.845 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo . . . . . 0 C--O 1.245 0.854 0 C-N-CA 122.961 2.44 . . . . 10.0 111.79 179.347 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -105.19 140.91 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.77 103.1 11.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.144 0.497 . . . . 10.0 110.555 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -88.03 158.45 18.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.979 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -109.97 99.86 8.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.496 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -91.26 113.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mm -92.2 109.48 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.624 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.38 169.12 54.26 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.056 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.65 -26.14 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.039 0.447 . . . . 10.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -85.78 13.59 7.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.899 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m 62.86 52.61 2.64 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.635 -0.711 . . . . 10.0 112.507 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.01 154.76 22.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.494 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 8.7 tt0 -115.24 84.2 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.312 0.577 . . . . 10.0 110.003 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 43.8 mm -77.49 118.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.119 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.569 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 41.1 m170 -96.42 76.83 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.427 0.632 . . . . 10.0 110.111 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.56 117.46 15.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.589 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.79 102.02 11.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -96.44 163.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.755 . . . . 10.0 111.418 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -112.39 128.98 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.453 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -78.43 77.16 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.195 0.521 . . . . 10.0 110.729 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 174.81 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.496 179.389 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -90.87 148.58 22.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.261 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -68.98 154.28 42.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.273 179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.87 -13.32 62.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.44 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 49.2 tptt -56.11 -47.18 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.177 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 tptt -67.07 -25.72 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.216 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -81.2 -43.24 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 10.0 110.499 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.01 -42.92 99.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.353 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.4 pt-20 -67.06 -44.94 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.772 -0.195 . . . . 10.0 111.096 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.4 m -61.67 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.391 . . . . 10.0 111.124 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.42 -46.02 74.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.517 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.86 -41.58 98.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.421 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.42 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 94.1 mt-30 -63.94 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -72.8 -43.47 62.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.584 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.45 -31.54 71.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.12 28.34 7.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 10.0 112.3 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -132.02 150.48 76.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.15 164.95 20.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.491 2.127 . . . . 10.0 111.158 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.403 ' HE2' ' HD2' ' A' ' 45' ' ' LYS . 14.7 ttt -73.73 158.69 34.17 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.582 -179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 77.73 4.14 2.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 10.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.9 p -84.73 -35.47 22.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.337 0.589 . . . . 10.0 110.026 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.16 141.84 45.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.066 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.9 ptt-85 -107.38 125.69 51.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.522 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -90.05 116.48 28.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.581 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.79 132.36 51.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.073 0.463 . . . . 10.0 110.967 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -139.32 117.36 11.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.59 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 63.36 25.18 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.49 -43.72 1.64 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.48 177.45 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -112.83 141.97 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 10.0 110.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -73.36 124.51 30.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.347 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.417 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -78.94 160.62 27.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.869 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.7 m-20 -67.33 -38.24 84.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.599 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -85.2 6.9 23.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.417 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -72.77 154.72 40.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.187 0.517 . . . . 10.0 110.99 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.415 HG21 ' HD2' ' A' ' 77' ' ' PRO . 0.3 OUTLIER -133.45 146.23 59.79 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.604 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.415 ' HD2' HG21 ' A' ' 76' ' ' THR . 32.1 Cg_exo -62.51 -8.78 13.71 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.365 2.043 . . . . 10.0 112.573 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -69.01 -30.46 68.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.346 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.467 ' C ' ' H ' ' A' ' 81' ' ' GLY . 7.2 pt-20 -108.73 176.33 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.453 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 77.1 mt 73.76 -23.53 0.22 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.229 0.612 . . . . 10.0 111.414 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.467 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.89 40.55 6.2 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.893 -0.67 . . . . 10.0 113.084 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 mtt -75.17 116.12 15.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -115.0 -176.92 3.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 10.0 111.756 -178.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.24 140.28 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.798 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 64.77 29.92 12.52 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.422 0.451 . . . . 10.0 110.949 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.56 148.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.81 122.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.048 0.452 . . . . 10.0 112.056 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 tt -129.74 135.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.29 157.12 17.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.058 0.456 . . . . 10.0 111.606 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.26 123.75 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.945 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -136.48 159.15 42.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.347 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.65 140.14 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 10.0 111.077 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.403 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -79.39 163.05 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -69.26 -24.27 63.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.493 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.66 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.252 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.87 -42.67 2.15 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.274 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.608 -1.107 . . . . 10.0 111.862 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 121.026 0.441 . . . . 10.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -130.58 6.27 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 10.0 110.662 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -99.93 142.27 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.673 -179.171 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -137.68 93.89 12.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.327 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.569 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 6.8 Cg_exo -76.09 131.85 13.46 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.275 2.65 . . . . 10.0 112.656 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.0 139.03 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.1 t -111.4 130.92 64.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.252 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt -92.68 -176.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.601 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 1.4 m -118.07 109.46 16.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.777 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -80.08 129.07 34.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 142.26 29.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.71 0.291 . . . . 10.0 111.625 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--O 1.252 1.207 0 C-N-CA 122.653 2.235 . . . . 10.0 111.605 178.723 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.412 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 18.6 m-85 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.2 mm -97.81 125.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 5.3 ttpm? -104.33 117.38 34.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.96 0.41 . . . . 10.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.29 138.89 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.688 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.4 mtpt -94.93 106.0 17.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.714 179.577 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.507 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.3 t -95.42 122.5 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.72 112.72 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.646 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.61 159.97 37.16 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.501 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -68.87 -14.48 63.06 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.224 0.535 . . . . 10.0 110.628 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -95.77 9.27 41.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.75 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 m 66.64 51.51 1.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.818 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -118.46 142.11 47.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.013 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.485 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 6.1 mt-10 -88.74 85.96 6.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 39.7 mm -81.6 104.93 10.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.503 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 23.9 m170 -91.15 85.12 5.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.271 0.558 . . . . 10.0 110.431 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.61 116.41 21.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.964 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.24 115.84 27.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.412 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 7.7 m -105.34 161.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 10.0 112.048 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.06 117.46 34.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.768 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.0 tpp -72.82 79.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.076 0.465 . . . . 10.0 111.161 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 175.43 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.372 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -94.11 146.76 23.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.895 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.57 154.45 38.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.121 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.27 -4.73 27.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.061 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.427 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 36.7 tptt -57.96 -53.92 52.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.196 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -64.16 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.723 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -66.21 -41.93 89.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.94 -179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.09 -45.69 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.817 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.08 -35.09 73.95 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.941 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.8 m -64.77 -37.1 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 10.0 110.413 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.046 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -59.93 -45.41 92.67 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.991 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.55 -37.93 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.781 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -64.35 -34.45 78.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -87.29 -12.04 47.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.838 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.97 27.15 51.2 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.176 -0.535 . . . . 10.0 112.602 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.86 155.76 72.41 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.52 166.72 27.61 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.007 1.804 . . . . 10.0 111.793 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.0 ttt -75.96 156.65 33.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.758 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.7 t30 74.76 4.0 4.29 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.919 0.762 . . . . 10.0 111.693 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -90.79 -17.43 26.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.266 0.555 . . . . 10.0 109.907 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.442 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.9 ptt-85 -103.03 127.83 50.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.177 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -94.92 111.53 23.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.445 179.49 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.6 mt -102.51 121.0 41.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.203 0.525 . . . . 10.0 111.596 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -123.36 108.23 12.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.027 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 65.96 21.47 11.33 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.92 -20.36 48.16 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.783 -0.723 . . . . 10.0 112.474 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -91.09 155.67 18.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.24 -0.281 . . . . 10.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -98.19 129.81 44.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.22 0.533 . . . . 10.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.7 118.57 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.452 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -83.77 172.35 12.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.576 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.427 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.6 m-20 -74.87 -24.89 58.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.621 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.83 20.68 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.464 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -88.59 148.65 23.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.791 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.587 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -123.32 146.54 49.73 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.434 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.0 -13.61 40.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.425 2.083 . . . . 10.0 112.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -73.9 -36.38 64.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.587 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.0 pt-20 -83.82 174.37 10.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.542 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 91.8 mt 71.65 -53.09 0.69 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.404 0.681 . . . . 10.0 111.257 -179.511 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.4 56.45 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.3 mtt -82.0 131.26 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.5 mm-40 -123.15 179.78 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.136 0.493 . . . . 10.0 111.463 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.417 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 19.3 tp10 -74.14 140.97 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.392 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 67.35 23.59 9.19 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.576 0.548 . . . . 10.0 110.359 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.514 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -71.22 159.63 34.29 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.553 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -114.19 130.63 68.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.146 0.498 . . . . 10.0 111.62 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.507 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 17.1 tt -136.83 141.21 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.45 149.08 26.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.922 0.391 . . . . 10.0 111.749 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -129.59 122.92 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.494 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -128.08 159.83 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.608 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -79.14 126.47 30.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.233 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.442 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -72.98 148.04 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -65.57 -17.37 64.53 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.118 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.94 -26.81 64.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.793 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.24 -35.24 3.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.112 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.793 -1.004 . . . . 10.0 111.491 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.577 0.227 . . . . 10.0 110.802 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -134.0 21.05 3.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.93 0.395 . . . . 10.0 110.514 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.485 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -101.65 128.9 47.74 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.604 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -129.46 110.5 17.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.129 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.503 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.2 Cg_endo -80.04 124.47 5.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.823 2.348 . . . . 10.0 111.457 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.1 mt -120.12 122.95 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 28.5 t -108.34 120.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.131 -0.692 . . . . 10.0 109.131 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.9 pt -88.29 170.27 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 10.0 111.325 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 6.0 m -105.45 95.59 5.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.412 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.37 114.37 9.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.703 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.9 107.15 5.83 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.41 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo . . . . . 0 C--O 1.254 1.275 0 C-N-CA 122.539 2.159 . . . . 10.0 112.071 179.689 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mm -83.38 129.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.8 ttpm? -100.0 112.61 24.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.273 0.558 . . . . 10.0 111.167 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.2 mt -100.96 143.4 31.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.208 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -96.92 108.26 20.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.741 0.305 . . . . 10.0 110.503 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.407 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.2 t -89.95 121.75 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -103.07 120.53 53.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.682 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.35 176.27 35.37 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.363 -0.695 . . . . 10.0 111.363 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.68 -20.09 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.015 0.436 . . . . 10.0 111.058 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.57 5.78 30.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m 63.67 72.29 0.47 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.7 179.46 4.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.924 -1.035 . . . . 10.0 110.322 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.464 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 1.0 OUTLIER -138.22 53.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.406 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.8 mm -63.61 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -109.36 99.83 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.501 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.42 113.93 26.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.396 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -89.05 102.42 15.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.044 0.449 . . . . 10.0 109.821 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.6 m -98.78 167.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.809 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -103.43 124.25 48.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.283 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.505 ' O ' ' HB ' ' A' ' 41' ' ' THR . 54.6 tpp -80.65 74.77 7.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.19 0.519 . . . . 10.0 110.764 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.505 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.7 t 174.79 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.794 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -93.46 151.69 19.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.874 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 59.8 m80 -63.3 149.03 46.66 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.021 178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 47.8 mt -68.89 -6.98 30.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.751 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.461 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.1 tptt -56.37 -52.36 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.22 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -66.7 -29.69 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.042 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -74.01 -44.47 54.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.436 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -60.15 -47.63 85.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.508 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.97 -39.16 93.07 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.154 -0.218 . . . . 10.0 110.961 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.3 m -63.07 -37.58 87.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.625 0.25 . . . . 10.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 0.439 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.3 t80 -65.75 -39.96 91.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.0 m -62.83 -43.1 99.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.75 -38.79 92.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -61.32 -40.33 93.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.562 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.439 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.1 mm100 -78.33 -26.21 46.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 10.0 110.58 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.17 34.07 7.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.932 -0.651 . . . . 10.0 112.046 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.68 156.29 80.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.58 163.77 35.58 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.2 1.934 . . . . 10.0 111.124 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttt -75.94 157.04 33.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 10.0 110.816 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 71.45 19.47 5.18 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.656 0.782 . . . . 10.0 111.596 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.3 p -97.95 -35.54 10.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.9 mt -111.84 143.63 42.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.848 -1.069 . . . . 10.0 109.959 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.518 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.9 ptt180 -110.33 127.72 55.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -91.76 119.96 32.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.905 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -110.27 118.62 36.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.257 0.551 . . . . 10.0 111.372 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -119.21 111.76 18.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 62.7 26.79 15.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.2 0.524 . . . . 10.0 110.155 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.5 -26.03 19.91 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.973 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -85.43 138.45 32.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.669 0.271 . . . . 10.0 110.797 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -81.89 129.7 34.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.079 0.466 . . . . 10.0 110.137 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.43 123.24 22.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.701 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 166.44 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.834 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.9 m-20 -72.87 -27.57 61.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.911 0.386 . . . . 10.0 110.963 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -92.41 11.91 24.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.464 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -84.41 151.29 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.823 0.344 . . . . 10.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 70.9 p -126.25 158.02 68.08 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.992 179.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.9 -14.36 38.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.467 2.111 . . . . 10.0 112.101 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.79 -43.78 65.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -82.11 172.53 13.09 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 mt 74.25 -47.16 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.107 0.563 . . . . 10.0 110.364 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.64 46.56 0.9 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.165 -0.541 . . . . 10.0 112.659 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.7 mtt -75.92 113.18 13.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.718 0.294 . . . . 10.0 110.644 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.546 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 31.6 mm-40 -109.06 175.49 5.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.703 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.517 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 15.7 tp10 -70.0 143.18 52.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 67.4 22.54 9.4 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.479 0.487 . . . . 10.0 111.299 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.546 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -77.85 159.74 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.361 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -109.13 130.68 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.14 0.495 . . . . 10.0 112.206 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.407 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 18.6 tt -133.87 135.88 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -105.33 152.7 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 10.0 111.617 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.36 124.4 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.657 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -130.59 169.08 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.891 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.91 141.49 28.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.662 0.268 . . . . 10.0 110.692 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.518 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.0 mm-40 -77.95 161.98 27.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.149 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -68.16 -21.91 64.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.087 0.47 . . . . 10.0 110.582 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -32.51 60.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.02 10.11 86.42 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.077 -0.583 . . . . 10.0 112.523 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.104 -1.386 . . . . 10.0 111.446 -179.774 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.913 0.387 . . . . 10.0 110.354 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -134.4 27.46 3.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.218 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.464 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 8.5 ptp180 -103.94 138.83 39.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.824 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 26.0 t0 -137.53 112.15 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.174 179.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -73.98 105.22 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.979 2.453 . . . . 10.0 112.725 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 48.1 mt -96.61 120.3 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 3.3 t -123.16 131.23 73.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.245 179.601 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.47 135.44 62.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.72 124.31 29.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.756 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.97 146.29 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.813 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -136.5 141.45 35.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.545 -179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 45.8 Cg_exo . . . . . 0 C--O 1.249 1.056 0 C-N-CA 123.054 2.503 . . . . 10.0 112.379 179.323 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.739 0.304 . . . . 10.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -100.92 132.85 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.072 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 9.5 ttpp -114.38 99.48 7.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 10.0 110.661 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.41 155.4 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.937 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 50.9 mtpt -109.48 108.79 19.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.9 t -95.19 114.33 31.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -84.21 113.43 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.978 0.418 . . . . 10.0 110.52 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.77 169.13 42.32 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.446 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.38 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.029 0.443 . . . . 10.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.49 21.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.475 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 60.61 36.61 19.69 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.911 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.4 157.6 16.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.051 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -119.74 75.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 40.9 mm -66.81 124.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.758 -178.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.452 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 4.4 m170 -97.65 84.26 3.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.414 0.626 . . . . 10.0 110.096 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -79.26 114.02 17.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.332 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -88.29 109.58 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -105.15 164.65 3.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.815 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -105.92 118.63 37.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.434 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.6 tpp -74.07 78.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.333 0.587 . . . . 10.0 110.769 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.434 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.2 t 175.74 -25.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.544 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -94.76 143.17 26.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.333 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.93 153.56 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.666 0.27 . . . . 10.0 110.617 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.35 -8.51 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.714 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 27.1 tptt -58.78 -52.61 64.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 10.0 110.399 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -68.0 -32.04 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.436 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.07 -46.12 78.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.6 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.847 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.413 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 pt-20 -68.08 -35.37 78.08 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.807 -0.357 . . . . 10.0 111.309 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.7 m -65.69 -36.65 84.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.911 0.386 . . . . 10.0 110.447 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.87 -36.37 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.049 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -63.35 -44.62 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.057 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 74.7 mt-30 -62.22 -34.78 77.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.511 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.437 ' HG2' HD11 ' B' ' 362' ' ' ILE . 22.4 tpt180 -66.8 -42.19 86.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.809 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -78.91 -12.15 60.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.217 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.89 30.62 42.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.394 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.79 153.9 81.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 122.85 -0.206 . . . . 10.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.76 165.63 31.47 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.281 1.987 . . . . 10.0 111.113 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.478 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 17.2 ttt -76.09 160.55 29.67 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.307 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 59' ' ' MET . 6.1 m-20 74.66 9.66 4.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.208 0.603 . . . . 10.0 111.604 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 p -92.66 -38.25 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.172 0.51 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 39.6 mt -113.51 148.37 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.714 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 18.7 ptt-85 -110.18 133.59 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.407 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.66 118.74 32.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.52 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 54.6 mt -106.82 130.47 54.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.109 0.481 . . . . 10.0 111.028 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -137.65 115.28 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.904 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 61.8 30.2 18.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.049 0.452 . . . . 10.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.07 -24.83 16.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.553 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -88.55 164.6 15.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -107.16 132.7 52.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.893 0.378 . . . . 10.0 110.331 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.89 122.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.389 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 174.71 11.3 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 m-20 -82.25 -15.41 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.019 0.437 . . . . 10.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -109.27 20.78 17.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 148.05 25.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.436 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 142.05 31.61 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.409 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.98 -15.81 29.31 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.65 2.233 . . . . 10.0 113.002 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -79.5 -21.41 45.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 10.0 110.403 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.51 168.06 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.703 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 71.82 -50.22 0.69 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.717 0.636 . . . . 10.0 111.145 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.86 57.99 0.25 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.559 -0.616 . . . . 10.0 111.559 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.3 mtt -84.63 122.77 29.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 10.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -115.24 -175.67 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.9 142.98 39.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 19.5 mm-40 60.85 33.29 20.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.02 0.438 . . . . 10.0 110.754 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.41 158.43 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.215 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.48 130.7 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.134 0.492 . . . . 10.0 111.95 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 tt -134.13 133.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 1.7 mt-10 -100.44 151.93 20.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.978 0.418 . . . . 10.0 111.339 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.23 118.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.67 165.0 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.9 tt0 -76.39 134.42 39.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.982 -179.395 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.5 mm-40 -76.57 165.1 25.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.353 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.82 -36.34 83.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.488 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 p -65.84 -48.64 70.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.7 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.83 8.63 67.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.813 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.856 -0.969 . . . . 10.0 112.032 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -114.64 6.07 15.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.9 0.381 . . . . 10.0 111.344 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . . . . . . . . . 28.8 mtt180 -106.65 126.6 52.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.131 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -128.33 111.19 19.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.234 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 62.4 Cg_endo -76.31 134.82 16.07 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.973 2.448 . . . . 10.0 112.481 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . 0.437 HD11 ' HG2' ' A' ' 54' ' ' ARG . 25.4 mt -135.6 125.77 42.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 14.1 t -108.3 134.13 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.248 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 10.9 pt -87.64 172.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.457 . . . . 10.0 111.63 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 22.2 m -116.37 99.34 7.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.116 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.8 109.04 14.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.644 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 1.7 p -132.37 109.45 13.64 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 122.682 2.255 . . . . 10.0 111.823 179.397 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.491 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 16.2 mm -84.45 130.67 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.368 . . . . 10.0 110.476 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.475 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . 5.0 mtpm? -103.76 111.22 23.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.7 130.27 45.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.726 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -91.48 113.88 26.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 10.0 111.131 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.416 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.0 t -98.58 118.41 45.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.327 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.9 mm -95.57 119.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.836 0.35 . . . . 10.0 111.119 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.62 165.57 26.02 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.747 -0.74 . . . . 10.0 111.649 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 10.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.54 13.39 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.624 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m 66.19 40.0 4.01 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.44 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.87 154.58 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.096 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.427 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 37.5 mt-10 -125.51 69.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.976 -0.749 . . . . 10.0 108.976 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 35.9 mm -67.85 135.45 28.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.696 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.492 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.8 OUTLIER -110.57 94.17 4.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.132 0.492 . . . . 10.0 110.013 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.54 113.66 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.221 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -86.02 99.14 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.491 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 17.0 m -97.99 159.39 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.505 0.669 . . . . 10.0 112.337 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.3 tttt -102.63 118.35 36.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.801 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.52 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.0 tpp -76.51 84.41 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 10.0 111.651 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.52 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.0 t 171.11 -36.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.84 178.478 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -87.28 143.88 27.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.274 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -61.72 152.5 30.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.599 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 6.4 mt -65.13 -8.43 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.646 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.405 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 39.9 tptt -56.52 -48.32 77.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.113 0.482 . . . . 10.0 110.06 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -69.79 -31.96 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.852 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -70.49 -44.99 66.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.18 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -60.08 -46.81 88.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.219 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.88 -37.74 84.96 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.275 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.0 m -63.0 -38.46 91.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.729 0.3 . . . . 10.0 110.959 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -67.59 -40.64 84.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.728 0.299 . . . . 10.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 60.9 m -61.92 -45.83 92.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 10.0 110.104 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -68.47 -25.42 64.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 21.9 tpt180 -70.32 -41.67 72.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -74.87 -26.53 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.398 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.97 29.41 8.59 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.915 -0.659 . . . . 10.0 111.877 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.43 154.48 79.26 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.99 169.31 15.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.342 2.028 . . . . 10.0 111.479 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -80.46 158.27 25.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.893 -0.323 . . . . 10.0 110.456 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 74.25 9.39 4.5 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.798 0.687 . . . . 10.0 111.387 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -90.59 -40.77 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.473 0.654 . . . . 10.0 109.61 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 mt -107.02 138.76 42.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.474 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.3 ptt-85 -102.15 126.98 49.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -91.34 117.92 30.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.284 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.56 131.0 55.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.182 0.515 . . . . 10.0 111.3 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -136.29 114.48 11.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.21 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 61.8 31.16 18.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.365 0.602 . . . . 10.0 110.699 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.55 -25.77 12.29 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.693 -0.685 . . . . 10.0 113.182 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -85.13 152.06 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.673 0.273 . . . . 10.0 110.979 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -93.76 128.08 39.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.158 0.504 . . . . 10.0 109.932 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.7 mm -68.92 121.65 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.99 176.0 8.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.0 m-20 -84.2 -12.51 54.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.467 0.651 . . . . 10.0 110.06 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -105.4 27.35 8.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.547 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.42 138.75 33.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.83 -179.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.621 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.4 139.47 25.39 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.74 -7.8 8.13 Favored 'Trans proline' 0 N--CA 1.477 0.554 0 C-N-CA 122.657 2.238 . . . . 10.0 113.426 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -85.63 -16.79 38.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.331 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.621 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.2 pt-20 -103.32 176.01 5.29 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.939 -0.305 . . . . 10.0 110.642 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -63.35 0.43 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.844 0.715 . . . . 10.0 110.336 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.16 59.79 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.056 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -96.99 128.53 44.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.691 0.281 . . . . 10.0 110.373 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.2 mm-40 -132.75 179.09 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.788 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.475 ' OE2' ' HB2' ' A' ' 23' ' ' LYS . 52.1 tp10 -65.06 137.04 57.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.657 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 65.7 36.77 6.12 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.713 0.633 . . . . 10.0 111.416 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -84.52 171.4 12.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.143 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.57 125.46 73.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.896 0.379 . . . . 10.0 111.323 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.2 tt -128.11 136.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.514 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -102.47 151.97 21.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.874 0.369 . . . . 10.0 111.103 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -140.22 123.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.929 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.15 160.93 36.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.51 133.35 33.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.948 0.404 . . . . 10.0 110.697 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.474 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.7 mm-40 -73.38 155.35 39.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.382 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.42 -17.52 64.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -18.06 60.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.488 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.7 -64.12 4.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.99 -0.895 . . . . 10.0 111.077 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 121.001 0.429 . . . . 10.0 110.695 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -110.15 20.39 17.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.14 0.495 . . . . 10.0 110.357 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.427 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 91.9 mtt180 -111.6 162.85 14.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.455 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -159.16 112.14 1.56 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.358 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.492 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.3 Cg_endo -82.1 115.84 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.443 2.095 . . . . 10.0 112.075 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 24.2 mt -107.73 123.49 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.38 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.61 131.58 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pp -94.36 169.6 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 10.0 111.975 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 3.4 m -111.37 125.23 53.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.963 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.82 127.21 55.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.73 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 15.3 m -147.23 95.24 4.41 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.749 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo . . . . . 0 C--O 1.247 0.961 0 C-N-CA 123.107 2.538 . . . . 10.0 112.179 179.615 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -95.89 126.54 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.446 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.478 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.4 ttpm? -108.45 106.52 16.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.62 137.74 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.077 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -97.97 111.17 23.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.823 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 t -92.57 119.94 41.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.654 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mm -95.49 113.08 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.48 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.47 170.8 41.05 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.056 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -63.78 -21.73 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 10.0 111.007 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -91.78 12.23 22.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.794 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 m 65.97 49.95 1.54 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.47 167.34 12.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.418 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.539 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 15.5 tt0 -133.01 65.66 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.0 mm -68.03 134.75 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.033 -178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -104.17 102.45 12.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.607 -179.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.414 ' CZ ' HD13 ' A' ' 47' ' ' LEU . 0.1 OUTLIER -95.66 114.34 26.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.795 -179.704 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -89.82 102.79 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.2 160.48 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.024 0.44 . . . . 10.0 111.357 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -108.4 139.89 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.224 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.501 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.2 tpp -81.21 79.77 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.501 ' HB ' ' O ' ' A' ' 40' ' ' MET . 13.7 t 169.54 -20.49 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 148.18 22.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.761 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -72.51 148.52 44.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 86.7 mt -73.6 -3.83 30.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.135 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.478 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 15.7 tttp -57.8 -53.48 57.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.373 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -64.0 -32.68 74.3 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.45 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.414 HD13 ' CZ ' ' A' ' 36' ' ' PHE . 2.9 mm? -64.99 -39.71 93.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.134 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.58 -50.67 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.754 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -69.31 -36.46 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.459 -179.029 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.1 m -62.41 -40.94 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.793 0.33 . . . . 10.0 110.716 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -65.9 -37.78 87.0 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.17 -42.96 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.0 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.69 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.063 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -60.32 -40.97 92.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.351 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.26 -24.7 29.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.624 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.5 41.85 4.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.211 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -131.71 155.35 81.53 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.08 167.14 18.79 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.307 2.005 . . . . 10.0 112.218 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.91 136.69 56.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.253 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.36 24.61 8.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.257 -0.883 . . . . 10.0 112.781 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -83.89 -29.51 27.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.47 0.652 . . . . 10.0 109.715 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.6 mt -115.84 138.87 50.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.173 -0.922 . . . . 10.0 110.457 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -100.92 126.25 47.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.838 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.5 m-85 -91.71 116.08 28.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.649 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.1 mt -103.03 118.52 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.29 0.567 . . . . 10.0 111.3 -178.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -123.8 112.4 17.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.349 -0.841 . . . . 10.0 108.888 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 62.86 33.17 15.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.194 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.33 -17.42 51.99 Favored Glycine 0 CA--C 1.52 0.363 0 CA-C-N 115.943 -0.571 . . . . 10.0 113.473 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 19.0 mt-30 -98.21 161.5 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.607 -0.349 . . . . 10.0 110.691 -179.421 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 129.97 50.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.5 mm -60.34 126.62 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 10.0 112.187 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.05 163.81 14.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.094 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -68.98 -32.96 72.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.939 0.4 . . . . 10.0 111.54 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -90.54 4.28 51.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.265 -0.272 . . . . 10.0 111.551 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.48 144.08 48.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.213 0.53 . . . . 10.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 42.0 p -118.79 158.68 46.94 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.317 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 11.7 Cg_exo -70.91 -9.43 25.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.145 1.897 . . . . 10.0 111.849 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -78.03 -40.59 38.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.922 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 9.3 pt-20 -81.61 167.72 18.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 4.0 mt 73.35 -54.49 0.69 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.766 0.666 . . . . 10.0 111.268 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.05 79.39 0.68 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.992 -0.623 . . . . 10.0 111.736 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -115.51 122.56 46.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.588 0.232 . . . . 10.0 110.478 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.464 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.4 mm-40 -124.86 -176.69 3.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 10.0 111.031 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.478 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 3.9 tp10 -68.5 145.45 54.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 67.95 21.84 8.78 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.461 0.475 . . . . 10.0 111.612 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.464 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -79.03 160.34 27.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.604 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.77 135.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.051 0.453 . . . . 10.0 111.842 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -135.33 141.21 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.344 179.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.93 148.93 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.828 0.347 . . . . 10.0 111.28 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.95 122.66 54.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.187 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -132.8 157.38 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.849 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.98 142.86 31.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.62 0.248 . . . . 10.0 110.764 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.11 155.23 32.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.983 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -21.21 62.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.067 0.461 . . . . 10.0 110.332 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -5.86 52.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.42 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.52 -63.64 4.38 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.472 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.792 0 CA-C-O 118.945 -0.92 . . . . 10.0 111.289 179.813 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.621 0.724 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -81.92 -9.32 59.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.242 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.539 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.5 ptp85 -112.21 126.2 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.146 0.498 . . . . 10.0 111.922 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -119.02 113.87 35.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.378 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -79.93 123.45 5.19 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.659 2.24 . . . . 10.0 113.41 -179.368 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.23 122.93 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.716 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.69 119.37 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.218 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.34 -178.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 11.8 m -117.68 138.1 52.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.693 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.05 131.87 56.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.348 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 15.1 m -151.8 83.76 5.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.727 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 C--O 1.251 1.162 0 C-N-CA 122.548 2.166 . . . . 10.0 111.966 179.533 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.71 0.291 . . . . 10.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.9 mm -122.7 121.41 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.97 96.39 7.0 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.109 0.481 . . . . 10.0 111.181 -178.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.0 mt -83.22 150.66 26.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -107.36 104.14 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.17 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.533 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.1 t -89.55 123.0 41.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.323 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mm -91.51 114.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.714 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.74 169.23 50.37 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.839 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.99 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 10.0 111.196 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.48 18.48 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m 63.62 49.85 2.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.074 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 158.61 15.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.045 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.608 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.4 tt0 -117.54 77.78 1.17 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.459 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 28.5 mm -74.77 127.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.329 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.533 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 27.5 m170 -99.58 87.46 3.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.22 0.533 . . . . 10.0 110.196 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.01 108.91 15.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.329 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -85.92 97.42 10.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -95.27 162.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.567 . . . . 10.0 111.687 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -105.52 120.52 41.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.448 ' O ' ' HB ' ' A' ' 41' ' ' THR . 59.0 tpp -70.56 83.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 10.0 111.258 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.448 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.5 t 170.21 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.63 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -81.66 138.25 35.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.574 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 145.69 55.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.99 -17.1 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.638 0.256 . . . . 10.0 111.157 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -54.88 -45.23 74.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 10.0 109.938 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -70.34 -36.93 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.975 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -68.25 -41.35 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.123 -179.256 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -59.79 -47.5 85.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.574 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.3 pt-20 -69.96 -39.52 75.94 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.966 -0.294 . . . . 10.0 111.454 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -59.44 -37.81 79.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.879 0.371 . . . . 10.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.31 -40.78 81.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.139 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.7 m -61.5 -41.83 97.89 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.265 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.44 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.2 mt-30 -60.84 -41.53 95.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.906 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -30.69 68.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.346 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -79.94 -27.97 39.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 10.0 110.957 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.35 18.68 30.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.316 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.0 m -122.07 153.5 61.08 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.51 164.78 31.51 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.48 2.12 . . . . 10.0 111.348 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.4 ttt -73.41 159.95 32.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.738 -0.385 . . . . 10.0 110.501 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t30 70.3 20.41 6.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 p -102.82 -43.9 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 10.0 110.215 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -103.47 137.49 41.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.0 ptt-85 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 10.0 109.914 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 86.8 m-85 -91.5 118.44 30.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.064 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.0 mt -100.46 125.83 46.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.255 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -126.99 98.24 5.25 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.176 -0.92 . . . . 10.0 109.259 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 63.18 24.42 14.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.772 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -26.97 17.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.777 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -87.32 145.57 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.634 0.254 . . . . 10.0 110.634 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -94.79 117.9 30.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 10.0 110.063 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -56.82 126.74 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.191 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.05 168.7 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.874 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.87 -20.63 45.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.119 0.485 . . . . 10.0 110.714 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -92.54 4.51 53.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.919 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -82.62 151.44 26.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.899 0.381 . . . . 10.0 111.099 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.541 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.96 150.2 68.42 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.649 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.81 -8.67 16.29 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 122.693 2.262 . . . . 10.0 113.335 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -78.29 -20.86 50.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 10.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.541 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.8 pt-20 -110.43 -179.4 3.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.235 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.98 -10.07 0.79 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.172 0.589 . . . . 10.0 112.105 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.76 53.48 3.99 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.9 mtt -92.68 123.54 36.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.816 0.341 . . . . 10.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.509 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 5.1 mm-40 -127.49 178.53 6.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.535 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 27.4 tp10 -70.17 135.38 49.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.424 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.535 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 13.0 mm-40 76.5 17.8 1.86 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.785 0.678 . . . . 10.0 111.402 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.509 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -72.97 143.17 47.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.952 0.406 . . . . 10.0 110.109 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -95.33 131.89 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.759 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.533 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 7.3 tt -136.02 124.95 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.365 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.22 155.26 16.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.772 0.32 . . . . 10.0 111.071 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.09 126.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.123 0.487 . . . . 10.0 110.631 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.77 158.12 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.68 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -87.71 137.9 31.93 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.727 -0.389 . . . . 10.0 111.083 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.2 mm-40 -71.46 164.26 26.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.09 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 10.0 110.523 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -34.61 77.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.6 -32.88 6.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.45 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.859 -0.967 . . . . 10.0 111.21 -179.632 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 121.18 0.514 . . . . 10.0 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -127.23 -5.52 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.751 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.608 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.4 ptp180 -110.92 153.78 25.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.655 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -148.73 106.99 3.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.75 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.533 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 3.9 Cg_exo -79.55 135.45 11.71 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.034 2.489 . . . . 10.0 113.438 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.66 138.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.519 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 1.7 t -119.95 152.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt -120.0 171.95 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.219 0.533 . . . . 10.0 111.792 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 1.5 m -102.27 135.5 43.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.222 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -115.84 126.48 54.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.075 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 21.6 m -146.47 106.83 4.09 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-O 120.621 0.248 . . . . 10.0 110.78 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--O 1.252 1.175 0 C-N-CA 123.007 2.471 . . . . 10.0 112.347 179.593 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.423 ' O ' HG21 ' A' ' 38' ' ' VAL . 51.0 mm -69.41 117.48 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -107.6 115.9 30.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.657 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.47 133.91 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.848 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -97.89 102.93 14.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.319 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.446 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -85.74 111.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.087 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.404 ' HA ' ' O ' ' A' ' 32' ' ' SER . 32.9 mm -91.1 117.32 34.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.001 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.99 162.96 32.95 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.533 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -67.73 -16.25 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.69 0.281 . . . . 10.0 111.373 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -92.69 21.23 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 10.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m 65.05 41.92 4.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.995 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 2.8 p -101.88 145.81 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.489 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.644 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 20.9 tt0 -119.49 80.99 1.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.24 0.543 . . . . 10.0 109.563 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.446 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.2 mm -74.68 126.38 35.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.693 -178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 18.3 m170 -98.89 87.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.278 0.561 . . . . 10.0 110.024 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -86.61 113.26 22.35 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.61 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.0 113.95 25.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.903 0.383 . . . . 10.0 109.978 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 22' ' ' ILE . 5.5 m -103.54 159.77 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.342 0.591 . . . . 10.0 111.471 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -95.19 122.12 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.187 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.552 ' O ' ' HB ' ' A' ' 41' ' ' THR . 6.7 tpt -73.5 74.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.283 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.552 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.7 t 168.06 -24.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.284 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.8 m -89.14 142.3 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.971 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -63.64 144.0 57.37 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.248 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.86 -9.68 46.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.465 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.465 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 32.2 tptt -59.43 -45.75 90.67 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 177.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -66.66 -39.58 88.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.943 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.24 -47.26 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.058 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.6 -50.4 73.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.307 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 25.1 pt-20 -67.23 -36.5 81.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.807 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -70.63 -33.23 70.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 10.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -66.68 -39.25 88.05 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.17 -40.5 90.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.831 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 76.3 mt-30 -63.96 -36.83 85.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.477 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 15.7 tpt85 -64.1 -36.61 84.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.44 179.283 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -79.63 -18.9 50.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.449 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.3 27.73 24.57 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.434 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.47 156.84 79.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.835 0.317 . . . . 10.0 110.546 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.73 167.61 26.06 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.288 1.992 . . . . 10.0 111.669 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.436 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 19.9 ttt -75.09 162.77 28.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.436 ' HB2' ' O ' ' A' ' 59' ' ' MET . 5.1 m-20 72.47 15.55 5.09 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.245 0.618 . . . . 10.0 111.558 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 p -99.15 -45.43 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.623 . . . . 10.0 109.649 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 mt -108.3 142.83 38.02 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.158 -0.928 . . . . 10.0 110.744 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.459 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.5 ptt-85 -111.85 132.49 54.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -95.22 121.76 37.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.129 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -106.64 121.67 44.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.058 0.456 . . . . 10.0 111.131 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -127.93 117.75 22.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.096 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 65.18 19.55 11.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 123.431 0.457 . . . . 10.0 111.645 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.39 -22.68 38.87 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.198 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.12 169.97 9.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.489 0.185 . . . . 10.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.82 134.25 49.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -65.35 119.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.182 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.52 167.09 22.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.722 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.465 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.6 m-20 -74.78 -27.92 60.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.026 0.441 . . . . 10.0 110.77 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.31 25.1 6.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.622 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 154.1 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.022 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.521 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -139.56 153.35 70.36 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.665 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.547 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 20.9 Cg_exo -65.55 -8.62 19.71 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.395 2.063 . . . . 10.0 111.869 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -73.56 -17.54 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.792 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 76' ' ' THR . 4.6 pt-20 -118.82 175.91 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.48 -60.89 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.796 0.685 . . . . 10.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.37 76.15 0.19 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.087 -0.578 . . . . 10.0 111.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.54 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 62.2 mtt -110.98 120.04 41.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.402 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 40.2 mt-10 -118.23 -172.87 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 10.0 111.244 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.72 141.01 48.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.695 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 66.56 23.44 10.4 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.672 0.608 . . . . 10.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.402 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -75.93 133.42 40.5 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.63 133.02 32.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.234 0.54 . . . . 10.0 111.983 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 20.4 tt -133.91 146.84 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 10.0 108.294 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.96 156.9 22.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.817 0.342 . . . . 10.0 111.49 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.38 131.48 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.532 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -134.78 173.54 11.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.976 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.01 140.21 32.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.698 0.285 . . . . 10.0 110.768 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.459 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 mm-40 -73.04 155.08 40.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.023 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.91 -30.89 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 10.0 111.42 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -9.41 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.842 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.95 -38.51 2.7 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.397 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.004 0 CA-C-O 118.891 -0.949 . . . . 10.0 110.835 179.781 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.036 0.446 . . . . 10.0 110.247 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -139.36 12.48 2.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.129 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.644 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.1 ptp180 -108.06 137.06 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.308 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -143.07 118.33 6.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.194 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.499 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 69.0 Cg_endo -78.23 128.07 8.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.688 2.259 . . . . 10.0 113.03 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 12.7 mt -128.79 134.15 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.093 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.11 150.64 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 2.2 pt -116.66 173.89 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 10.0 111.299 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 1.4 m -102.05 113.93 27.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.846 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.39 103.75 4.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.909 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.98 105.25 7.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.017 -179.096 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.247 0.969 0 C-N-CA 122.632 2.221 . . . . 10.0 111.527 178.602 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.181 -0.303 . . . . 10.0 110.181 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.4 ' O ' HG21 ' A' ' 38' ' ' VAL . 32.8 mm -90.08 123.83 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -105.13 119.85 40.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.046 0.451 . . . . 10.0 110.796 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.3 mt -103.04 142.47 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.279 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -100.24 103.42 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.448 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.442 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.3 t -87.14 112.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.9 mm -94.05 116.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.977 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.9 169.7 37.08 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.034 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -64.2 -26.8 68.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.967 0.413 . . . . 10.0 111.089 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.1 20.91 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 m 56.72 55.18 6.53 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.444 0.64 . . . . 10.0 111.78 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.475 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -111.05 138.93 46.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.645 178.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.492 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 29.5 tt0 -109.09 87.49 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.271 0.558 . . . . 10.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.442 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.6 mm -78.71 122.91 34.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.015 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.528 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 19.4 m170 -97.77 86.43 3.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.45 119.33 26.6 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.801 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -88.31 104.63 16.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.4 HG21 ' O ' ' A' ' 22' ' ' ILE . 6.1 m -99.17 163.22 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.6 0.714 . . . . 10.0 112.112 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.71 123.94 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.871 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 tpt -79.37 63.27 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.131 0.491 . . . . 10.0 110.877 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -176.84 -29.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -89.05 148.39 23.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.811 0.338 . . . . 10.0 110.69 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -66.03 154.16 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.425 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 29.7 mt -66.55 -10.37 44.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.488 -179.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -57.47 -45.73 84.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 10.0 109.958 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -65.88 -33.62 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.117 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -76.4 -45.42 31.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.277 -179.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -65.29 -39.6 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.556 0.217 . . . . 10.0 111.429 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.5 m -71.22 -33.24 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.667 0.27 . . . . 10.0 111.237 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.87 -38.49 91.27 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.517 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 60.2 m -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.081 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.63 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.252 0.549 . . . . 10.0 110.133 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.73 -40.65 95.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.612 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.53 -29.49 63.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.895 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.41 28.68 10.24 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.066 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.411 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 m -136.28 153.22 76.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.45 161.98 29.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.28 1.987 . . . . 10.0 111.987 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.517 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 18.4 ttt -70.84 153.52 42.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.652 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.506 ' HB2' ' O ' ' A' ' 59' ' ' MET . 1.8 m-20 81.3 -9.0 1.33 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.931 0.892 . . . . 10.0 111.884 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 m -75.41 -28.06 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.221 0.534 . . . . 10.0 109.934 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.0 mt -113.04 135.84 53.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.222 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.406 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.5 ptt-85 -102.9 132.97 48.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.151 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.4 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 46.4 m-85 -95.33 117.13 29.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.895 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.84 118.34 36.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.175 0.512 . . . . 10.0 110.775 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -136.93 123.78 21.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 63.71 17.92 10.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.403 0.439 . . . . 10.0 110.853 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.94 -8.34 80.01 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.108 -0.567 . . . . 10.0 111.997 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -100.81 165.97 11.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.361 . . . . 10.0 110.57 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -95.59 122.26 38.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.632 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.4 ' HB ' ' HB2' ' A' ' 64' ' ' PHE . 32.9 mm -68.37 116.6 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.028 0.442 . . . . 10.0 110.778 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.33 162.23 18.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.85 -22.34 64.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.697 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -93.52 5.1 52.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.174 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.19 149.76 27.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 10.0 111.025 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.553 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -123.5 143.14 40.73 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.763 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -13.69 28.68 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.587 2.191 . . . . 10.0 113.043 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -22.34 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.289 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.553 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -106.19 179.3 4.31 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 54.7 mt 71.08 -61.86 0.47 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.751 0.657 . . . . 10.0 111.064 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.79 72.18 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.389 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.1 mtt -116.88 123.51 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -130.1 -171.05 2.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.237 179.384 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -73.73 144.76 45.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.74 30.24 16.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.933 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.24 154.11 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.426 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.37 132.03 59.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.7 tt -136.99 142.29 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.17 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.56 153.03 24.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.982 0.42 . . . . 10.0 111.046 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.31 134.1 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.124 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -137.95 171.39 14.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.616 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -88.62 136.86 32.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.799 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.406 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 9.2 mm-40 -77.93 151.26 33.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.17 -36.56 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.606 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -69.08 -27.51 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.039 0.447 . . . . 10.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.51 2.63 88.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.722 -0.751 . . . . 10.0 111.326 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.934 -0.926 . . . . 10.0 111.035 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.582 0.229 . . . . 10.0 110.491 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -164.77 20.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 10.0 111.162 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.492 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 31.8 mtp180 -101.78 123.23 45.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.673 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -128.7 108.54 18.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.978 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.528 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.9 Cg_exo -77.31 124.93 7.43 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.877 2.385 . . . . 10.0 112.156 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.08 130.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.788 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 12.5 t -130.04 129.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt -116.4 160.82 15.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 10.0 111.238 -179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.7 m -90.15 148.35 23.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -88.37 159.29 18.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.224 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 8.5 p -156.62 82.4 3.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.983 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo . . . . . 0 C--O 1.252 1.201 0 C-N-CA 123.39 2.727 . . . . 10.0 111.999 179.32 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.22 117.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.43 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 4.3 ttpm? -104.5 117.17 33.49 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.882 0.373 . . . . 10.0 110.788 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.7 mt -103.76 136.22 43.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.731 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 8.1 mttm -90.76 109.94 21.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.255 179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.05 112.55 29.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.342 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -81.41 119.85 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.433 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -91.53 169.16 32.58 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 10.0 112.682 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -65.71 -32.06 73.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 10.0 111.454 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.75 29.75 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.395 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m 63.09 30.74 16.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.694 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.433 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -85.39 158.09 20.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.664 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -133.88 75.8 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.87 130.34 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.009 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.672 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.8 m170 -104.66 98.25 8.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.106 0.479 . . . . 10.0 110.981 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.62 122.07 32.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.102 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -94.88 100.89 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.04 167.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.102 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -112.05 133.17 54.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.54 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.3 tpp -74.95 83.94 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.474 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.54 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 171.1 -26.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.94 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -93.36 145.0 24.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -70.01 150.56 46.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.097 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.2 mt -66.85 -9.61 39.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.988 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 9.8 tptt -52.96 -53.13 54.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.841 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.342 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -70.85 -41.96 70.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.074 -179.546 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.8 -44.68 96.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.591 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.67 -35.42 72.83 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.763 -0.375 . . . . 10.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.2 m -64.96 -36.8 85.57 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.857 0.361 . . . . 10.0 110.418 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -65.36 -39.35 92.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.104 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.9 m -59.56 -41.98 91.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.183 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.56 -39.09 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -65.91 -29.84 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.298 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.95 -11.86 46.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.96 65.78 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 113.03 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 m -131.92 152.01 79.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.81 165.06 29.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.271 1.981 . . . . 10.0 111.995 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.401 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 8.4 ttt -70.99 165.95 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 10.0 111.474 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.401 ' HB2' ' O ' ' A' ' 59' ' ' MET . 2.2 m120 74.97 0.91 3.66 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.421 -0.808 . . . . 10.0 112.075 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.5 p -87.96 -43.8 11.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.302 0.573 . . . . 10.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.2 mt -103.06 138.46 39.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.143 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.402 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.9 ptt-85 -107.89 137.19 46.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.311 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.7 120.5 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.345 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -112.06 107.03 15.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.072 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -114.55 117.06 29.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.343 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 64.17 19.62 11.85 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.13 0.49 . . . . 10.0 110.379 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.27 -8.33 79.43 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.002 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.44 147.67 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.7 mmm180 -83.3 108.48 16.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.735 179.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 mm -60.82 118.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.192 0.52 . . . . 10.0 111.91 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.0 169.02 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.411 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.3 m-20 -73.92 -34.67 64.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.011 0.434 . . . . 10.0 111.394 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.2 7.25 22.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.687 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -79.38 143.75 34.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.033 0.445 . . . . 10.0 111.035 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.2 146.28 44.09 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.154 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.25 -11.78 27.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.448 2.099 . . . . 10.0 112.015 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.65 -37.5 82.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.572 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 1.1 pt-20 -97.72 -177.07 3.66 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 25.2 mt 71.18 -60.53 0.51 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.529 0.518 . . . . 10.0 110.695 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.51 64.54 0.12 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.095 -0.574 . . . . 10.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.1 mtt -99.63 126.8 45.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.53 -173.4 3.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.68 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -77.0 145.35 38.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.055 179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 66.73 23.19 10.21 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.747 0.655 . . . . 10.0 111.611 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.55 163.94 24.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.72 134.89 62.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.012 0.434 . . . . 10.0 111.55 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -134.19 134.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -98.06 145.92 26.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.951 0.405 . . . . 10.0 111.735 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.6 p -131.54 131.4 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.794 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -138.07 163.74 30.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.875 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -85.35 135.29 33.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.875 0.369 . . . . 10.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.402 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 7.8 mm-40 -69.23 154.9 41.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.746 -179.303 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.803 . . . . 10.0 111.411 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.16 -23.24 57.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 10.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.81 -25.34 16.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.229 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.712 -1.049 . . . . 10.0 111.715 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.21 0.529 . . . . 10.0 110.664 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 -110.02 27.06 9.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.369 0.604 . . . . 10.0 109.713 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -144.14 125.01 14.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.098 -0.956 . . . . 10.0 110.729 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -139.13 141.4 29.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.265 178.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.672 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 9.5 Cg_endo -88.94 133.77 2.53 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.081 2.521 . . . . 10.0 113.12 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.43 126.3 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.676 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 6.8 t -124.33 126.12 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 6.2 pt -122.0 -171.75 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.65 0.262 . . . . 10.0 110.826 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.37 145.38 20.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.342 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -126.65 153.23 45.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 3.5 m -129.1 107.65 17.94 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.074 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo . . . . . 0 C--O 1.25 1.1 0 C-N-CA 122.236 1.957 . . . . 10.0 111.905 179.844 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.387 -0.227 . . . . 10.0 110.387 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -105.65 127.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -99.39 110.0 22.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.093 0.473 . . . . 10.0 111.974 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -101.19 133.7 45.34 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -100.33 113.27 25.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.156 0.503 . . . . 10.0 111.44 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.408 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.9 t -96.64 118.52 43.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.66 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -88.43 106.81 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.89 0.376 . . . . 10.0 110.238 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.22 178.37 41.24 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 10.0 112.547 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -65.01 -28.88 69.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.807 0.337 . . . . 10.0 111.33 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.66 11.1 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.7 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m 62.8 54.68 2.23 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.543 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.459 ' HA ' ' ND2' ' B' ' 358' ' ' ASN . 0.4 OUTLIER -98.28 160.3 14.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.073 179.493 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.562 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 17.0 mt-10 -104.08 73.15 1.12 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.957 0.408 . . . . 10.0 109.929 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 36.4 mm -74.9 108.88 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.053 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.7 OUTLIER -91.62 98.03 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.073 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.429 ' CE1' HD13 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -86.46 113.52 22.47 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.481 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -85.45 92.27 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.4 m -96.07 164.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.309 0.576 . . . . 10.0 111.809 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -108.1 128.16 54.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.161 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.472 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -75.69 84.37 2.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.237 0.541 . . . . 10.0 111.307 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.472 ' HB ' ' O ' ' A' ' 40' ' ' MET . 14.9 t 169.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.068 -0.969 . . . . 10.0 109.806 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.21 144.39 28.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.547 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 146.72 53.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.662 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.25 -17.34 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.8 tptt -51.91 -51.0 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.785 178.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -65.42 -36.56 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.292 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD13 ' CE1' ' A' ' 36' ' ' PHE . 2.6 mm? -68.85 -39.13 80.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 10.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -46.21 78.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.691 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.488 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 11.7 pt-20 -66.94 -37.51 84.43 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.238 -0.185 . . . . 10.0 110.872 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 m -64.21 -37.33 87.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.893 0.378 . . . . 10.0 110.599 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.62 -42.9 98.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.974 0.416 . . . . 10.0 110.076 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.4 m -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.488 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.2 mt-30 -61.79 -40.28 94.66 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.767 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.417 HH11 ' HD2' ' A' ' 54' ' ' ARG . 9.8 ttt85 -64.97 -39.26 93.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -77.46 -15.13 59.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.148 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.89 30.43 38.86 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.642 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.29 155.43 81.51 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -71.99 163.81 37.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.396 2.064 . . . . 10.0 111.513 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -72.71 157.79 36.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 79.31 -15.34 0.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 10.0 111.562 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.2 -32.03 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.42 0.628 . . . . 10.0 110.066 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.24 146.26 35.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.964 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' HD3' HH12 ' A' ' 63' ' ' ARG . 9.9 ptt180 -116.03 126.75 54.21 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.315 179.461 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -90.67 121.9 32.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.915 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.8 mt -109.42 127.78 54.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.112 0.482 . . . . 10.0 110.827 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -135.23 113.97 11.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.771 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 63.79 14.11 8.0 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.453 0.471 . . . . 10.0 111.898 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.95 -16.34 43.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.228 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -97.44 159.21 15.06 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -98.32 133.41 42.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 10.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.38 118.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.398 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.87 173.21 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.62 -27.49 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.529 . . . . 10.0 110.358 179.642 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -99.08 22.57 10.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.657 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -76.22 140.71 41.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.934 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.575 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -115.71 140.96 26.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.208 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.3 -5.76 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.455 2.103 . . . . 10.0 112.792 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -89.77 -15.24 32.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 10.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.575 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.3 pt-20 -99.47 165.18 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.301 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 70.91 -66.76 0.28 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.409 0.684 . . . . 10.0 110.64 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.57 76.79 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.5 mtt -111.28 121.6 45.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -128.37 -173.47 2.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 10.0 111.123 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -69.78 137.91 52.29 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.271 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 65.22 23.12 12.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.881 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.79 154.62 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.96 126.43 61.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.4 tt -131.34 143.3 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.086 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -112.15 157.01 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.775 0.322 . . . . 10.0 111.293 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.32 129.88 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.295 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -137.36 170.75 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.435 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.67 139.77 30.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.7 168.45 19.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.015 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -64.29 -36.16 83.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 111.488 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.7 p -75.56 -27.68 58.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 10.0 111.184 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.27 7.32 88.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.575 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.809 0 N-CA-C 110.793 -0.923 . . . . 10.0 110.793 -179.555 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.906 0.384 . . . . 10.0 110.1 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . 0.459 ' ND2' ' HA ' ' A' ' 32' ' ' SER . 7.6 p30 -147.36 45.94 1.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.774 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.562 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 97.3 mtt180 -97.92 119.18 36.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.444 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.09 104.48 16.69 Favored Pre-proline 0 C--N 1.322 -0.628 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.328 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.572 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.7 Cg_exo -70.82 109.85 2.62 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.838 2.359 . . . . 10.0 112.314 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.87 126.26 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.9 t -125.22 128.13 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.268 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.34 172.94 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.141 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.0 p -149.06 116.33 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.888 0.375 . . . . 10.0 111.01 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -80.76 167.04 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.127 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 7.4 m -139.86 100.75 7.26 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.251 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 C--O 1.248 1.014 0 C-N-CA 122.853 2.369 . . . . 10.0 112.156 179.852 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.164 -0.31 . . . . 10.0 110.164 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.3 mm -98.67 136.45 29.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.546 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -105.99 117.93 35.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.018 0.437 . . . . 10.0 111.078 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.22 125.12 46.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.577 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 17.4 mtpt -87.97 107.1 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.179 0.514 . . . . 10.0 110.857 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.28 121.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.784 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 mm -94.33 110.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.915 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.32 162.63 38.49 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.715 -0.755 . . . . 10.0 111.416 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.64 -9.9 58.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.014 0.435 . . . . 10.0 110.865 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.72 8.34 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.926 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 69.18 61.38 0.31 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.853 0.721 . . . . 10.0 110.658 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -118.13 164.78 14.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.56 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 24.3 mt-10 -132.65 74.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.577 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 27.1 mm -67.42 133.34 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.872 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.69 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.2 OUTLIER -106.28 80.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.446 ' CE1' HD11 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -79.33 120.15 23.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.79 0.329 . . . . 10.0 110.466 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -93.26 105.11 17.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.51 159.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.341 0.591 . . . . 10.0 112.407 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -96.3 129.11 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.145 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.486 ' O ' ' HB ' ' A' ' 41' ' ' THR . 50.9 tpp -77.91 74.23 4.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.1 t 170.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.773 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -77.6 138.74 39.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.28 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -65.78 145.12 56.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.73 -8.62 10.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.391 . . . . 10.0 112.036 -178.634 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 49.9 tptt -58.5 -44.23 89.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.52 -22.7 60.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.078 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.446 HD11 ' CE1' ' A' ' 36' ' ' PHE . 3.3 mm? -82.46 -43.76 16.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.577 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -61.41 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.571 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.7 pt-20 -65.59 -39.8 92.0 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.707 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.73 -37.59 87.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.105 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.5 m -62.31 -43.2 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.78 -40.71 98.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.187 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.63 81.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 10.0 110.781 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -79.35 -10.47 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.82 33.66 29.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.031 -0.604 . . . . 10.0 112.737 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.32 157.96 76.3 Favored Pre-proline 0 C--N 1.323 -0.574 0 O-C-N 122.718 -0.283 . . . . 10.0 110.63 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.86 166.73 28.66 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.319 2.013 . . . . 10.0 110.774 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.441 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 10.8 ttt -76.37 157.97 31.87 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.655 -0.418 . . . . 10.0 110.542 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.441 ' HB2' ' O ' ' A' ' 59' ' ' MET . 8.4 m120 74.37 11.51 4.1 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.653 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -89.53 -38.05 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.88 134.62 52.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.876 -1.056 . . . . 10.0 110.208 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.9 ptt-85 -101.71 132.92 47.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.325 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -91.85 112.74 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.772 179.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.74 114.25 28.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.201 0.524 . . . . 10.0 111.017 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -115.33 99.79 7.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.214 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 65.54 29.33 11.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.874 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.26 -27.55 17.99 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.793 -0.639 . . . . 10.0 112.274 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -85.72 128.32 34.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.639 0.257 . . . . 10.0 110.807 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.7 ptm180 -81.07 121.59 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 10.0 109.967 178.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -65.05 127.98 26.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.584 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.95 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.02 -35.46 69.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.158 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.67 29.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.467 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -103.11 150.48 23.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.847 0.356 . . . . 10.0 110.63 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.458 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -126.09 150.25 68.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.142 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . 0.402 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 16.8 Cg_exo -66.77 -4.31 10.93 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.643 2.229 . . . . 10.0 112.793 -179.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -80.62 -22.83 40.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.681 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 76' ' ' THR . 6.8 pt-20 -107.34 -178.53 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.267 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mt 73.18 -42.22 0.52 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.492 0.717 . . . . 10.0 111.546 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.93 34.97 1.18 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.012 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . 0.402 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 61.8 mtt -75.67 127.81 33.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.719 0.295 . . . . 10.0 110.538 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.0 mm-40 -124.24 178.69 5.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.087 0.47 . . . . 10.0 111.31 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.93 136.42 50.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.257 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 65.88 31.77 9.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.025 0.44 . . . . 10.0 111.234 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.421 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.8 t0 -76.51 168.93 19.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.209 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.38 125.86 74.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 10.0 111.262 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -133.33 141.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.8 155.41 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.93 0.395 . . . . 10.0 111.482 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.85 125.23 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.333 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -134.65 163.19 30.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.425 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.73 138.67 31.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.699 -0.4 . . . . 10.0 110.365 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -77.15 159.64 29.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.577 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.0 -24.06 65.99 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.179 0.514 . . . . 10.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -20.57 62.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.875 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.72 -49.63 3.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.233 -0.508 . . . . 10.0 112.607 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.97 0 CA-C-O 118.634 -1.092 . . . . 10.0 111.587 -179.836 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.668 0.27 . . . . 10.0 110.437 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -119.11 11.6 12.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.808 0.337 . . . . 10.0 110.892 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.56 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.8 mpt_? -106.41 147.64 29.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.795 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -147.29 105.6 3.81 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.087 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.69 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.2 Cg_endo -73.02 123.77 9.12 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.701 2.267 . . . . 10.0 112.809 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.93 126.69 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.15 132.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 11.6 pt -115.78 171.42 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.426 -0.213 . . . . 10.0 110.426 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 3.1 m -100.73 117.34 34.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.024 0.44 . . . . 10.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.05 141.89 47.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.413 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.24 99.36 2.51 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.304 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo . . . . . 0 C--O 1.251 1.156 0 C-N-CA 123.067 2.511 . . . . 10.0 111.954 179.362 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.52 117.61 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.456 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 1.8 ttpm? -101.7 114.32 28.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.108 0.48 . . . . 10.0 110.698 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -101.11 134.81 43.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.826 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -90.19 106.23 18.34 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.602 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.7 t -90.97 115.48 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.269 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -89.52 118.7 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 169.31 38.0 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.147 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -64.73 -25.36 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.815 0.34 . . . . 10.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.45 17.03 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.262 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m 67.43 32.37 5.83 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.424 0.453 . . . . 10.0 111.407 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 p -84.76 152.53 23.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.747 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.3 tt0 -115.61 72.74 0.81 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.069 0.461 . . . . 10.0 109.868 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.485 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 51.7 mm -72.34 133.42 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.854 0.359 . . . . 10.0 111.023 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.457 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 29.6 m170 -103.79 92.25 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 10.0 110.666 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.412 ' CZ ' HD12 ' A' ' 47' ' ' LEU . 0.5 OUTLIER -86.73 113.44 22.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.665 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -93.55 111.8 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 10.0 110.512 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.36 171.76 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -117.19 137.71 52.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.442 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.4 tpp -73.3 79.17 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.472 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.442 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.5 OUTLIER 173.38 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.571 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -79.98 136.41 36.61 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.117 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 143.02 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.042 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.27 -9.56 33.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.497 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 39.0 tptt -56.65 -52.25 65.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.113 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.7 -30.58 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.03 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.412 HD12 ' CZ ' ' A' ' 36' ' ' PHE . 3.8 mm? -68.76 -45.57 71.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.108 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -62.1 -47.46 84.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.928 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.1 pt-20 -64.96 -42.35 94.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -65.61 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.613 0.244 . . . . 10.0 110.98 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.68 -38.54 77.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 10.0 110.016 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.7 m -60.27 -41.29 92.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.954 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.58 -37.01 86.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.531 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 13.6 tpt180 -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.922 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -87.96 -4.97 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.12 35.08 61.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.209 -0.52 . . . . 10.0 112.954 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -131.66 158.29 75.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 122.853 -0.204 . . . . 10.0 110.499 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.21 167.46 26.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.184 1.922 . . . . 10.0 110.998 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 20.5 ttt -75.29 154.24 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.679 -0.409 . . . . 10.0 110.115 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 59' ' ' MET . 12.6 m120 76.85 4.36 3.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.364 0.666 . . . . 10.0 111.716 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 p -82.86 -41.52 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.357 0.599 . . . . 10.0 109.566 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.61 141.75 41.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.429 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.0 ptt180 -113.8 133.05 55.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.036 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -91.77 121.09 33.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.962 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -106.09 118.62 37.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.166 0.507 . . . . 10.0 110.447 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -126.44 119.58 27.58 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 64.65 20.31 12.1 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.582 0.552 . . . . 10.0 110.699 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.61 -14.83 64.4 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -96.52 155.69 16.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.746 0.308 . . . . 10.0 110.474 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -91.53 124.76 35.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.026 0.441 . . . . 10.0 109.912 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.11 120.01 9.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.748 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.92 166.68 20.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.261 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.8 -13.95 60.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.985 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -104.53 11.78 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -84.85 150.63 24.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 10.0 111.267 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.447 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 p -126.85 154.73 76.1 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.878 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.47 -15.75 51.03 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.269 1.979 . . . . 10.0 111.645 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.39 -37.56 71.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.447 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.7 pt-20 -91.03 174.36 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.4 mt 73.11 -47.79 0.67 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.144 0.578 . . . . 10.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.76 55.81 0.45 Allowed Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.505 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.0 mtt -85.25 128.56 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.476 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.1 mm-40 -127.48 -176.3 3.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.294 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -75.7 146.69 39.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.808 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 64.19 24.47 13.41 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.568 0.543 . . . . 10.0 110.527 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.476 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -75.72 168.01 20.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.521 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.84 128.71 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.115 0.483 . . . . 10.0 111.134 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.602 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.7 tt -133.66 129.94 55.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -95.91 150.05 20.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 10.0 111.37 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.64 126.31 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.207 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -135.57 162.94 31.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.168 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -81.09 140.32 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.005 0.431 . . . . 10.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.514 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.1 mm-40 -77.18 155.23 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.237 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.4 -32.78 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.81 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -25.35 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.829 0.347 . . . . 10.0 111.627 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.09 -26.49 12.96 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.688 -1.062 . . . . 10.0 111.985 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 121.009 0.433 . . . . 10.0 110.301 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -103.02 18.01 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.747 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.3 ptp180 -95.37 121.52 37.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.865 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -120.51 114.32 33.07 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 74.1 Cg_endo -79.66 121.83 4.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.686 2.257 . . . . 10.0 112.891 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 21.4 mt -115.64 121.36 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.727 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 13.7 t -117.98 127.51 75.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.89 163.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.803 0.335 . . . . 10.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 121.38 34.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.492 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -84.51 131.01 34.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.718 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 10.6 m -137.35 127.55 15.72 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.53 -0.305 . . . . 10.0 110.371 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 C--O 1.252 1.203 0 C-N-CA 122.578 2.185 . . . . 10.0 112.164 179.775 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.5 mm -81.56 128.79 38.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.517 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 4.6 ttpm? -108.07 122.95 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.057 0.456 . . . . 10.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.3 mt -103.92 143.0 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.773 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -102.5 109.99 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.828 0.347 . . . . 10.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.43 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -91.46 125.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -87.67 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.219 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.33 152.03 25.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.622 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.95 -31.49 72.7 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.992 0.425 . . . . 10.0 111.024 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.79 7.71 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.646 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 m 68.64 68.67 0.3 Allowed 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.516 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.27 152.85 51.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.852 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.564 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 60.4 tt0 -107.32 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 10.0 109.809 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.43 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.5 mm -79.02 117.17 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.543 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.7 m170 -95.15 80.4 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.903 0.382 . . . . 10.0 110.946 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.74 114.86 20.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -88.25 110.76 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.995 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.91 165.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.189 0.518 . . . . 10.0 111.347 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -113.45 122.18 46.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.191 -179.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.534 ' O ' ' HB ' ' A' ' 41' ' ' THR . 62.2 tpp -72.56 81.81 1.1 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.978 0.418 . . . . 10.0 110.977 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.534 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.1 t 168.06 -28.08 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.458 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -91.11 138.76 31.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.214 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.58 149.12 50.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.523 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.65 -8.25 26.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.331 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.453 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 34.7 tptt -54.28 -51.61 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.417 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -69.58 -32.42 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.041 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.811 -179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.3 -46.77 88.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.562 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 5.7 pt-20 -70.37 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.26 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.2 m -63.27 -34.83 78.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 10.0 110.491 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -66.76 -36.18 81.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.2 m -65.18 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.9 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 84.4 mt-30 -69.32 -38.17 78.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.123 179.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -64.66 -39.02 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -80.22 -29.35 38.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.661 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.75 39.27 6.26 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.175 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -135.51 158.92 73.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.567 -0.16 . . . . 10.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.32 164.57 30.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 10.0 111.816 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.9 ttt -75.7 155.02 36.08 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.138 -0.225 . . . . 10.0 110.557 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 t30 75.36 3.85 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.402 0.681 . . . . 10.0 111.634 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 p -83.36 -28.21 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 10.0 109.697 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 mt -121.28 141.48 50.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.369 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 25.8 ptt-85 -106.14 131.87 52.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.059 0.457 . . . . 10.0 109.886 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -93.29 116.38 28.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.366 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.45 130.73 46.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.195 0.522 . . . . 10.0 111.481 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -146.31 121.99 10.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.91 . . . . 10.0 109.387 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.5 24.34 14.03 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.54 0.525 . . . . 10.0 111.009 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.9 -23.41 29.09 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 121.069 -0.586 . . . . 10.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -96.07 175.26 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.18 134.17 52.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.079 0.466 . . . . 10.0 110.49 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.0 mm -63.5 122.26 14.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.843 . . . . 10.0 111.536 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.83 163.18 21.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.23 -18.08 61.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.043 0.449 . . . . 10.0 110.554 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -102.95 19.9 18.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -93.53 148.96 21.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.143 0.497 . . . . 10.0 111.235 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.89 147.26 58.27 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.806 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.18 -9.6 17.89 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.751 2.3 . . . . 10.0 112.792 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -77.31 -23.74 50.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.7 pt-20 -104.35 177.42 4.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 17.0 mt 72.23 -52.13 0.7 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.873 0.733 . . . . 10.0 111.612 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.74 65.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.023 -0.608 . . . . 10.0 111.748 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.5 mtt -98.23 127.35 44.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.042 0.448 . . . . 10.0 110.919 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -125.35 175.46 7.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.426 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.7 tp10 -69.87 139.76 53.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.377 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 65.64 34.84 7.4 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.46 0.475 . . . . 10.0 110.932 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.13 153.68 25.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.587 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.46 127.06 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.086 0.469 . . . . 10.0 111.599 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 tt -132.42 140.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.396 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.93 155.98 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.964 0.411 . . . . 10.0 111.464 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.37 123.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.254 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.0 159.99 35.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.183 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.69 138.15 38.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 10.0 111.615 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.481 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.6 mm-40 -78.06 154.12 31.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.618 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -73.28 -14.62 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.051 0.453 . . . . 10.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.9 p -78.96 -32.84 45.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.96 1.31 84.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.793 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.871 -0.961 . . . . 10.0 111.324 -179.825 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -144.17 72.44 1.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.122 0.487 . . . . 10.0 111.065 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.564 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.2 ptp180 -144.56 130.68 19.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.739 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 8.9 p-10 -137.32 121.25 11.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.866 0.365 . . . . 10.0 111.162 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.543 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.5 Cg_exo -77.24 114.01 3.68 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.88 2.387 . . . . 10.0 111.78 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.2 mt -99.58 119.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.142 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 24.9 t -117.87 126.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 17.2 pt -107.5 179.77 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.798 0.333 . . . . 10.0 111.124 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.8 133.13 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.863 0.364 . . . . 10.0 110.932 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -106.09 110.6 22.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.817 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 51.5 m -152.54 134.62 8.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.682 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 C--O 1.248 1.025 0 C-N-CA 122.664 2.243 . . . . 10.0 111.909 179.591 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.421 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 26.7 mm -122.86 111.47 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.607 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.2 ttpm? -91.58 105.04 17.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.084 0.469 . . . . 10.0 110.986 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.7 mt -93.23 128.76 39.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.083 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -92.56 104.07 16.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.84 0.352 . . . . 10.0 110.35 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.6 t -90.93 124.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -84.88 116.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.405 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -85.92 159.85 33.27 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.127 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.34 -28.5 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.932 0.345 . . . . 10.0 111.932 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -91.29 26.86 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m 62.16 40.54 11.66 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.291 0.567 . . . . 10.0 110.304 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' SER . . . . . 0.405 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.5 p -100.32 150.76 22.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 12.7 mt-10 -117.7 90.47 3.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.201 0.524 . . . . 10.0 109.89 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mm -81.63 104.37 10.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.402 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.624 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 28.0 m170 -87.84 77.79 8.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.381 0.61 . . . . 10.0 110.537 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.55 116.87 16.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 11.4 ttmt -91.7 104.08 16.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 10.0 109.809 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 6.4 m -90.53 163.61 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.482 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -105.46 127.6 53.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.121 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.7 tpp -76.07 84.4 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.707 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.524 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.0 t 170.05 -27.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.49 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.95 150.2 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.897 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -69.99 150.57 46.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.53 -8.15 24.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.29 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 53.5 tptt -57.61 -47.98 80.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 10.0 110.233 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -67.46 -26.27 66.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -80.03 -43.84 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.5 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.465 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.449 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.4 pt-20 -66.81 -42.87 85.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.703 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.408 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 50.9 m -62.06 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.591 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -63.51 -43.71 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 56.4 m -63.66 -41.68 98.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.382 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.449 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 96.5 mt-30 -62.33 -34.68 77.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.406 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -73.44 -36.35 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.211 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.47 -40.18 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.625 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.43 9.94 24.48 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.16 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.13 158.48 57.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.89 166.55 24.18 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.401 2.067 . . . . 10.0 112.123 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' MET . . . . . 0.419 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 8.5 ttt -73.31 161.57 30.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.694 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 t30 80.1 -28.86 0.14 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.906 0.882 . . . . 10.0 111.678 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -31.72 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.458 . . . . 10.0 110.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.54 129.61 55.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.756 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 14.8 ptt-85 -103.61 127.37 51.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.788 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -93.85 114.22 26.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.681 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.43 122.94 42.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.229 0.537 . . . . 10.0 111.073 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -128.66 111.24 12.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.355 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 61.51 30.47 18.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.362 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.9 -34.7 4.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.888 -0.673 . . . . 10.0 112.535 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.25 159.73 21.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.614 0.245 . . . . 10.0 110.42 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -102.15 130.21 48.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.861 0.362 . . . . 10.0 110.057 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.0 mm -65.15 123.02 17.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.386 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.48 178.85 8.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.11 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.402 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 18.6 m-20 -80.36 -30.32 37.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.012 0.434 . . . . 10.0 110.678 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.55 28.66 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.431 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.81 135.94 33.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.012 0.434 . . . . 10.0 110.495 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.641 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -111.37 141.75 25.07 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.321 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.02 -13.38 27.25 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.665 2.243 . . . . 10.0 112.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.69 -34.83 65.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.641 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -90.07 -179.81 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.463 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.405 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.8 mt 72.21 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.702 0.626 . . . . 10.0 111.063 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.78 48.25 0.12 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 121.026 -0.607 . . . . 10.0 112.089 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.0 mtt -82.64 137.15 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.729 0.3 . . . . 10.0 110.637 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.43 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.0 mm-40 -138.04 -170.82 2.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.391 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.607 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 6.0 tp10 -78.38 148.67 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 61.77 27.44 16.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.036 0.446 . . . . 10.0 110.512 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.43 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t0 -74.28 157.36 35.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.514 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.9 t -120.42 127.94 75.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 10.0 111.258 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . 0.467 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 17.7 tt -134.25 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.184 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 152.43 21.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 10.0 111.398 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.28 123.34 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.216 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.45 163.15 27.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -93.74 138.32 32.05 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.757 -0.377 . . . . 10.0 110.713 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.503 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.9 mm-40 -72.22 171.78 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.455 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -80.39 -21.37 42.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 10.0 111.084 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.4 p -72.25 -37.12 69.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 10.0 110.765 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.32 22.79 59.95 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.66 -1.078 . . . . 10.0 111.442 179.729 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.8 0.333 . . . . 10.0 110.696 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -166.25 28.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.306 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.44 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 1.8 ptp180 -133.98 130.95 38.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.638 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 3.0 p-10 -139.23 137.14 18.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.721 179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.624 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 96.6 Cg_endo -88.58 145.2 5.74 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.039 2.493 . . . . 10.0 113.497 -179.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.6 131.38 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.226 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 55.7 t -123.65 120.48 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 4.8 pt -91.91 -172.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 10.0 111.573 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.3 m -105.51 117.8 34.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.076 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.66 98.14 6.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 367' ' ' SER . . . . . 0.407 ' HA ' ' HD3' ' B' ' 368' ' ' PRO . 0.7 OUTLIER -135.07 122.44 15.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.991 -178.764 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' B' ' 367' ' ' SER . 7.5 Cg_exo . . . . . 0 C--O 1.251 1.133 0 C-N-CA 122.897 2.398 . . . . 10.0 111.975 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.7 mm -111.65 123.36 67.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.462 ' HZ2' ' HB3' ' A' ' 23' ' ' LYS . 4.4 ttpm? -108.71 117.4 34.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.921 0.391 . . . . 10.0 111.073 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.55 144.0 31.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.062 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' HE3' ' OE2' ' A' ' 33' ' ' GLU . 38.9 mtpt -107.96 114.89 29.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 110.931 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.38 123.56 49.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.379 179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.67 114.55 29.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.915 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.84 167.58 40.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.161 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.307 0.575 . . . . 10.0 110.52 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -91.5 10.92 25.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.905 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 66.69 31.55 7.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.368 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 p -88.33 160.09 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.125 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.511 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 8.9 tt0 -122.14 82.81 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.488 . . . . 10.0 109.834 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -67.75 120.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.615 -179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 21.4 m170 -100.02 88.37 3.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.382 0.61 . . . . 10.0 110.643 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -86.65 118.36 26.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.411 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -95.71 111.25 23.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 10.0 109.938 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -113.41 173.67 2.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.142 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -115.88 142.23 47.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.607 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.499 ' O ' ' HB ' ' A' ' 41' ' ' THR . 53.4 tpp -77.59 79.99 4.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 10.0 110.569 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.499 ' HB ' ' O ' ' A' ' 40' ' ' MET . 4.8 t 172.15 -20.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.139 -0.937 . . . . 10.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.45 128.94 35.01 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 143.8 57.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.042 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.65 -20.52 63.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.0 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 50.6 tptt -57.03 -42.07 79.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.887 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -69.18 -35.36 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.661 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.26 -39.32 68.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.665 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.41 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.181 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.47 -37.07 77.14 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.927 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -66.01 -36.92 84.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 10.0 110.714 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.88 -36.64 83.97 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.86 -39.52 94.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.246 0.546 . . . . 10.0 109.743 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.05 -32.83 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.092 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.41 -39.82 89.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.455 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.62 -34.73 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.05 36.46 4.44 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.789 -0.72 . . . . 10.0 112.424 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.91 156.2 74.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.24 162.24 39.44 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.391 2.061 . . . . 10.0 111.618 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ttt -72.81 157.36 37.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.66 -0.246 . . . . 10.0 110.967 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 80.22 -14.7 0.82 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.18 0.992 . . . . 10.0 111.6 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -71.51 -30.52 66.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.286 0.565 . . . . 10.0 109.897 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.7 mt -116.58 129.88 56.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 9.9 ptt180 -104.01 129.97 51.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.071 0.462 . . . . 10.0 110.261 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -88.91 127.82 35.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.885 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.2 124.87 53.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.288 0.566 . . . . 10.0 111.173 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -142.81 132.57 23.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.948 -1.024 . . . . 10.0 108.367 179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 64.54 18.0 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.298 0.57 . . . . 10.0 110.209 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.73 3.62 90.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.111 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -116.37 160.78 20.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -90.61 128.68 36.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.447 . . . . 10.0 110.292 179.382 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 40.7 mm -65.89 119.83 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.138 -179.521 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.47 165.57 23.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.442 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 13.2 m-20 -73.19 -21.84 60.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.164 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -96.07 3.24 53.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -76.32 144.18 40.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.45 . . . . 10.0 111.122 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.558 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -121.4 149.81 53.05 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.241 179.401 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.46 -14.1 40.26 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 122.671 2.247 . . . . 10.0 112.981 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.66 -29.87 65.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.523 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.558 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.4 pt-20 -100.96 -177.04 3.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt 73.12 -42.52 0.53 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.435 0.694 . . . . 10.0 111.625 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.01 46.12 0.84 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.376 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.7 mtt -80.96 123.68 28.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.826 0.346 . . . . 10.0 110.544 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 19.6 mt-10 -114.9 -177.63 3.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.074 0.464 . . . . 10.0 110.988 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -78.05 140.26 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 66.95 26.0 9.24 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.476 0.485 . . . . 10.0 110.404 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . 0.405 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.5 t0 -73.64 162.12 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.743 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -114.27 123.75 70.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.066 0.46 . . . . 10.0 111.266 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.61 138.21 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.464 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.12 156.95 17.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 10.0 111.036 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.23 124.1 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.918 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.2 162.59 32.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -77.45 136.11 38.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 2.3 mm-40 -74.24 159.53 32.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.862 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.159 0.504 . . . . 10.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 p -71.37 -60.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.525 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.69 3.39 22.13 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.755 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.753 -1.026 . . . . 10.0 111.302 179.738 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.758 0.313 . . . . 10.0 110.157 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -139.87 35.36 1.97 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.994 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.453 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mtt180 -115.27 96.45 5.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.251 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -106.24 124.5 35.62 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.957 0.408 . . . . 10.0 110.994 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.54 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.2 Cg_endo -79.59 111.37 2.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.116 2.544 . . . . 10.0 112.741 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 33.0 mt -102.56 119.41 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.71 112.65 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp -106.21 158.34 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.975 0.417 . . . . 10.0 111.182 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 4.4 m -115.66 149.75 37.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -113.5 154.52 26.92 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.95 142.01 38.77 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.456 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 C--O 1.249 1.069 0 C-N-CA 122.71 2.273 . . . . 10.0 111.704 179.566 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.1 mm -113.92 125.54 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.474 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -107.68 123.8 49.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.923 0.392 . . . . 10.0 110.57 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.8 mt -106.3 149.89 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.61 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -97.14 97.47 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.51 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.5 t -89.01 111.98 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 10.0 110.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mm -89.72 116.01 30.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.458 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.45 166.95 28.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.718 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.02 -21.38 66.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.167 0.508 . . . . 10.0 110.88 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -84.38 12.3 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.85 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.3 m 58.95 61.48 2.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.508 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -133.81 153.32 51.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.222 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.569 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 32.7 tt0 -109.45 89.3 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.51 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.9 mm -74.9 119.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.746 -0.465 . . . . 10.0 109.746 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 16.5 m170 -95.14 71.56 3.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.67 -179.029 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.72 119.56 21.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.354 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -91.82 113.08 25.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.39 158.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.578 . . . . 10.0 111.708 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -101.66 122.87 44.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.596 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.593 ' O ' ' HB ' ' A' ' 41' ' ' THR . 56.4 tpp -74.03 89.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 10.0 111.104 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.593 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 167.67 -26.77 0.0 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.674 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 148.94 23.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -68.39 154.61 41.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.13 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 61.6 mt -65.48 -12.39 52.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.241 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . 0.426 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 35.4 tptt -53.92 -49.13 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.52 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.29 -31.38 71.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.313 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -75.4 -40.62 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 10.0 110.832 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.14 -44.31 92.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.701 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.2 pt-20 -66.94 -38.61 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.779 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -65.38 -34.5 78.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 10.0 110.741 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.5 t80 -62.79 -43.44 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.7 m -63.02 -42.89 99.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 97.1 mt-30 -61.31 -44.37 97.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.778 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -64.5 -43.17 94.95 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mm100 -67.95 -37.42 81.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.798 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.51 6.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.03 -0.605 . . . . 10.0 111.822 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -126.58 157.34 71.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.69 156.72 60.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.243 1.962 . . . . 10.0 111.503 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.09 149.93 49.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.135 -0.226 . . . . 10.0 110.616 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 79.73 0.07 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.993 0.808 . . . . 10.0 112.241 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.1 p -82.19 -25.85 33.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.246 0.546 . . . . 10.0 110.023 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.8 mt -119.07 143.77 46.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.287 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.509 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.7 ptt-85 -116.09 136.95 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.933 0.397 . . . . 10.0 110.301 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.2 m-85 -94.31 125.26 38.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.874 179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -109.38 117.44 34.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.036 0.446 . . . . 10.0 111.072 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 66.9 t80 -127.64 122.62 33.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.475 -0.784 . . . . 10.0 108.943 179.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 65.14 17.77 11.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.0 110.278 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.47 -0.16 80.29 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.935 -0.65 . . . . 10.0 112.298 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -108.07 160.94 15.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -95.05 122.9 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 10.0 110.717 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.1 mm -64.69 126.07 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.967 -179.726 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.8 -176.05 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.386 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 4.3 m-20 -94.89 -12.68 26.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.899 0.38 . . . . 10.0 110.9 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -104.97 16.41 25.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -82.18 143.22 31.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.193 0.52 . . . . 10.0 111.307 -179.411 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.528 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -119.3 143.99 35.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.021 178.807 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.68 -6.78 11.29 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.469 2.113 . . . . 10.0 112.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.81 -30.41 45.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 10.0 110.721 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.528 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.6 pt-20 -96.18 179.26 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 15.2 mt 73.39 -41.47 0.5 Allowed 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.627 0.579 . . . . 10.0 111.598 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.53 48.86 0.89 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.063 -0.589 . . . . 10.0 111.883 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.9 mtt -89.06 123.76 33.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 10.0 111.15 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -122.0 -175.74 3.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.254 179.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.474 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 21.4 tp10 -71.73 138.65 48.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.227 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 9.4 mm-40 69.93 24.49 5.17 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.569 0.543 . . . . 10.0 111.385 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.42 148.57 33.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.3 t -99.26 131.75 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.9 tt -141.5 141.65 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.28 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.6 154.67 27.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.766 0.317 . . . . 10.0 111.29 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.029 0.442 . . . . 10.0 110.98 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -133.65 167.91 19.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.432 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.69 139.78 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 10.0 111.359 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . 0.509 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.3 mm-40 -79.69 155.08 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.271 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -66.98 -31.73 72.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 10.0 111.295 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -70.22 -23.49 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.377 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.78 13.71 82.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.823 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.954 0 CA-C-O 118.793 -1.004 . . . . 10.0 110.989 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.724 0.773 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -111.86 18.65 18.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.92 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 359' ' ' ARG . . . . . 0.569 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 5.2 ptp180 -118.9 135.59 54.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.116 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -128.2 112.62 19.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.187 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 361' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.5 Cg_endo -78.64 132.4 10.92 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.812 2.342 . . . . 10.0 113.346 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 10.4 mt -129.11 125.05 61.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.638 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.2 t -127.44 108.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.039 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 14.6 pt -92.71 -174.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 10.0 111.602 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.45 155.0 16.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.963 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -117.31 96.99 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.971 0.415 . . . . 10.0 110.217 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 1.2 m -128.97 106.18 18.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.96 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.893 2.395 . . . . 10.0 112.047 179.656 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.4 mm -122.94 117.18 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HZ2' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -90.36 110.89 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.859 0.362 . . . . 10.0 110.586 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.31 118.75 32.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -85.35 104.37 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.2 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 1.8 t -91.14 127.05 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.176 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 mm -83.66 106.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.51 155.06 46.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.995 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.42 -31.81 73.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 10.0 111.089 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -89.46 16.32 7.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.2 m 64.56 66.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.1 140.92 50.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.798 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.727 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 14.7 mt-10 -94.22 76.46 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 10.0 110.331 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG21 ' HE1' ' A' ' 51' ' ' TYR . 28.6 mm -73.24 114.45 12.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.512 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.606 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.4 OUTLIER -99.93 93.82 5.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.804 -179.442 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.64 118.29 25.06 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.865 -0.334 . . . . 10.0 110.724 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -89.33 99.16 12.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 10.0 109.947 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.99 162.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.634 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.68 131.76 54.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.112 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.461 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.2 tpp -75.72 79.79 2.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 10.0 111.266 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 40' ' ' MET . 10.3 t 171.87 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.843 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 m -86.15 141.23 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.76 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -67.4 145.29 55.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.923 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.43 -12.55 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.779 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 51.5 tptt -57.09 -47.82 80.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.905 0.384 . . . . 10.0 110.404 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 46' ' ' LYS . 29.9 tptt -69.07 -26.68 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.081 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.4 mm? -77.96 -41.89 34.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.552 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -61.06 -46.49 90.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.464 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.1 pt-20 -67.38 -42.84 82.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.335 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -59.58 -36.15 75.69 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.685 0.279 . . . . 10.0 111.241 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HE1' HG21 ' A' ' 34' ' ' ILE . 66.0 t80 -64.26 -44.8 90.63 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.03 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.534 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.4 mt-30 -61.98 -34.04 75.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.524 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -72.62 -39.9 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 10.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -78.55 -12.24 60.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 10.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.29 32.93 30.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.131 -0.557 . . . . 10.0 112.969 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.88 147.23 58.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 156.14 60.64 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.145 1.896 . . . . 10.0 111.076 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.53 154.6 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 81.88 -0.49 1.52 Allowed 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.96 0.788 . . . . 10.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.7 p -86.83 -32.98 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.114 0.483 . . . . 10.0 110.026 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 92' ' ' GLN . 78.1 mt -118.45 139.0 52.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.487 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.4 ptt-85 -107.55 130.0 54.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.28 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.443 ' HB3' HD11 ' A' ' 88' ' ' ILE . 87.8 m-85 -92.07 120.68 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.742 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -106.05 134.38 49.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.161 0.505 . . . . 10.0 111.251 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -140.59 111.36 6.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.739 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 66.43 28.13 9.69 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.644 0.59 . . . . 10.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.73 -33.38 5.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -83.87 162.95 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.623 0.249 . . . . 10.0 110.353 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -105.48 132.48 51.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.037 0.446 . . . . 10.0 110.6 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -64.79 125.88 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.569 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.67 173.01 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 11.6 m-20 -78.87 -10.57 59.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 10.0 111.464 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -107.91 17.06 22.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.26 146.24 23.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.289 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.539 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -125.58 147.49 58.39 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.108 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.04 -9.27 14.06 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.503 2.136 . . . . 10.0 113.042 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -73.4 -35.36 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.2 pt-20 -93.04 179.34 5.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.633 -0.258 . . . . 10.0 110.641 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 13.1 mt 72.41 -44.53 0.6 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.475 0.71 . . . . 10.0 111.486 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.21 39.99 0.84 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.413 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.9 mtt -73.04 137.68 45.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 10.0 110.643 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -133.42 178.76 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.033 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.97 138.16 57.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.611 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 59.3 39.24 22.69 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.584 0.553 . . . . 10.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t0 -78.09 163.35 25.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.997 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.05 128.02 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 10.0 111.324 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.4 tt -134.17 138.88 49.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.498 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.84 156.74 17.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.513 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.85 123.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.865 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.7 155.23 46.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.932 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.5 tt0 -78.08 140.87 39.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.893 0.378 . . . . 10.0 110.856 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -76.12 157.63 32.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.406 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.1 -26.01 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.114 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -78.33 -34.03 48.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.148 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.443 0 C-N-CA 120.795 -0.717 . . . . 10.0 111.596 -179.194 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.727 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 4.5 ptp180 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.91 0.386 . . . . 10.0 111.018 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -132.0 115.78 15.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.794 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 61.1 Cg_endo -77.09 128.63 9.99 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.627 2.218 . . . . 10.0 112.647 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 9.8 mt -112.69 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 23.5 t -118.32 120.49 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.769 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.879 0.371 . . . . 10.0 110.681 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.3 mm -110.1 136.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 128.8 56.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 10.0 110.943 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.21 145.15 37.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.094 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 48.7 mtpt -95.39 107.35 19.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.755 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.68 119.99 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.747 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.54 112.39 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.935 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.91 174.82 37.86 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.913 -0.661 . . . . 10.0 111.686 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -66.82 -24.51 66.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.964 0.412 . . . . 10.0 110.971 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.29 9.35 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.836 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 50.52 3.7 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.452 0.644 . . . . 10.0 110.706 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -97.41 167.05 11.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.448 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 33.9 mt-10 -128.95 60.0 1.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 30.3 mm -55.3 137.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.791 -178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.632 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.1 OUTLIER -104.27 84.88 2.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.258 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -83.18 116.36 22.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.778 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -89.17 106.24 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -95.56 153.26 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.581 0.705 . . . . 10.0 111.998 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -89.6 110.68 21.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.192 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 2.2 tpt -73.88 73.91 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.201 0.524 . . . . 10.0 111.347 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.5 t 174.41 -18.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.981 -1.009 . . . . 10.0 109.904 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -104.82 151.01 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.623 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -69.44 155.43 40.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.914 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -72.9 -1.52 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.264 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 46.3 tptt -56.52 -55.66 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.602 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 33.3 tptt -66.85 -35.1 79.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.634 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.38 -42.86 96.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.683 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.94 -52.41 63.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.024 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' OE1' ' HE3' ' A' ' 45' ' ' LYS . 7.3 pt-20 -67.38 -35.29 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.984 0.364 . . . . 10.0 111.984 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.5 m -62.61 -39.59 94.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 10.0 110.63 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.47 -37.15 84.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.796 0.332 . . . . 10.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.06 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -64.53 -34.68 78.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -27.22 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.569 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -91.52 -11.11 38.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.54 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.23 11.61 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.231 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -141.42 153.85 66.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.3 173.66 11.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.269 1.98 . . . . 10.0 111.507 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 7.6 ttt -78.57 154.53 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.246 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 59' ' ' MET . 4.0 m120 77.51 4.88 3.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.949 0.781 . . . . 10.0 111.685 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.0 p -85.92 -41.01 15.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.465 0.65 . . . . 10.0 109.552 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.2 mt -110.16 134.72 51.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.542 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -103.96 132.78 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.361 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 88' ' ' ILE . 58.8 m-85 -92.62 126.0 37.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.893 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.97 125.87 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.21 0.529 . . . . 10.0 111.503 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -132.62 120.83 22.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.02 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.65 23.19 13.8 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.501 0.5 . . . . 10.0 111.035 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.54 -21.12 42.66 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -92.78 164.41 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -99.37 142.61 30.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.03 0.443 . . . . 10.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.86 124.57 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.001 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 167.56 15.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.56 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.4 m-20 -73.53 -16.67 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.957 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -102.94 13.05 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.305 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -84.75 145.13 28.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.205 0.526 . . . . 10.0 111.492 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -122.55 144.8 43.19 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.519 179.359 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.89 -10.06 21.3 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.429 2.086 . . . . 10.0 112.388 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.59 -28.84 56.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.694 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' HG3' ' HG ' ' A' ' 80' ' ' LEU . 5.9 pt-20 -104.24 -172.21 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 74.1 mt 71.45 -57.06 0.62 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.196 0.598 . . . . 10.0 110.817 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.54 0.18 Allowed Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.7 mtt -92.25 129.95 38.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.049 0.452 . . . . 10.0 110.521 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.8 mt-10 -128.35 -178.71 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.95 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -68.85 139.35 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 27.0 mm-40 64.88 27.97 12.77 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.758 0.661 . . . . 10.0 111.334 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -72.08 156.38 39.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.557 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.62 121.61 58.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.111 0.481 . . . . 10.0 111.69 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.418 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.6 tt -132.48 133.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.349 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -105.63 154.39 20.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.949 0.404 . . . . 10.0 111.475 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.6 p -130.29 124.39 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.41 156.07 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.227 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -84.42 138.19 32.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.6 mm-40 -76.54 150.62 36.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.16 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -29.13 70.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.305 0.574 . . . . 10.0 109.901 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -17.8 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.53 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.265 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.448 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 50.7 mtp180 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.605 0.241 . . . . 10.0 110.711 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.9 134.21 23.61 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.632 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -78.86 133.65 11.43 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.702 2.268 . . . . 10.0 113.442 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.65 131.23 67.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.185 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.99 137.67 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.341 . . . . 10.0 110.953 -179.59 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.22 124.62 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 2.6 ttpm? -99.5 110.22 22.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.946 0.403 . . . . 10.0 110.999 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.55 131.77 44.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.994 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -90.16 105.05 17.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 3.0 t -86.07 114.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.648 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 32' ' ' SER . 26.1 mm -95.66 111.97 27.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.21 38.35 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.436 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.2 -27.17 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.979 0.419 . . . . 10.0 111.227 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.32 15.32 5.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.9 m 63.66 49.72 2.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.375 0.607 . . . . 10.0 110.973 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -98.58 158.47 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.071 179.447 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 11.4 tt0 -129.32 70.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 10.0 109.824 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 25.7 mm -71.95 131.5 34.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.516 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 46.2 m170 -96.97 95.82 8.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.357 0.599 . . . . 10.0 110.654 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 116.59 23.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.394 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -94.14 98.22 10.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -97.25 161.34 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.519 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -108.62 139.05 43.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.312 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.58 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.6 tpp -81.13 76.2 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.257 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.0 OUTLIER 170.73 -27.65 0.0 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.712 178.797 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.12 142.77 27.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.801 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.56 143.6 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.07 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.94 -11.42 38.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.7 tptt -58.02 -48.11 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.326 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -67.45 -29.01 68.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.677 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.2 -44.77 59.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.027 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.13 -48.68 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.679 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.631 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -63.02 -40.05 96.58 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.79 0.329 . . . . 10.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -63.77 -38.6 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 57.6 m -63.18 -46.86 85.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.146 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 78.4 mt-30 -59.66 -42.01 91.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.421 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.28 -41.11 98.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -81.91 -7.75 59.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.822 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.78 30.39 56.13 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.853 -0.689 . . . . 10.0 112.987 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 6.2 m -128.53 147.57 64.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.356 -0.238 . . . . 10.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.36 156.99 56.93 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.322 2.014 . . . . 10.0 111.317 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 9.0 ttt -69.51 153.83 42.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.78 -0.368 . . . . 10.0 110.397 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' MET . 3.6 m-20 77.1 8.08 2.93 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.812 0.695 . . . . 10.0 111.625 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.4 p -91.87 -26.94 18.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.486 0.66 . . . . 10.0 109.429 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -119.6 133.66 55.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.938 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.4 ptt-85 -104.35 129.02 52.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.018 0.437 . . . . 10.0 110.308 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.456 ' HB3' HD11 ' A' ' 88' ' ' ILE . 75.4 m-85 -92.43 120.63 33.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.51 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.7 mt -108.16 126.45 52.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.665 0.745 . . . . 10.0 111.754 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -130.16 115.28 16.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.827 -1.078 . . . . 10.0 108.902 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 63.34 29.62 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.746 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.58 -17.22 53.7 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 115.943 -0.572 . . . . 10.0 112.818 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -95.47 164.43 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.823 -0.222 . . . . 10.0 110.414 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -104.39 134.45 47.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 10.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.71 123.07 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.798 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.59 167.5 16.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.076 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.8 m-20 -79.23 7.18 8.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.273 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -130.22 16.94 5.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.747 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -91.32 160.48 15.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.273 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.531 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -139.46 153.83 71.03 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.945 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.55 -10.02 26.36 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.55 2.166 . . . . 10.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -77.41 -23.44 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.153 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -104.93 175.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.441 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt 70.8 -62.2 0.45 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.944 0.778 . . . . 10.0 111.228 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.82 64.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.15 -0.548 . . . . 10.0 112.137 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 36.4 mtt -94.45 131.12 40.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.742 0.306 . . . . 10.0 110.59 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.2 mm-40 -129.67 175.68 8.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 23.8 tp10 -72.45 136.87 46.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 23.9 mm-40 75.29 25.35 1.3 Allowed 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.01 0.819 . . . . 10.0 110.896 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -76.61 164.11 26.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.777 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.87 122.96 66.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.576 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 12.7 tt -130.71 121.89 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -95.38 154.35 17.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.87 0.367 . . . . 10.0 111.072 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.58 127.94 53.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.125 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -128.51 166.1 19.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.671 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -84.09 134.18 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.092 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.524 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -77.3 154.73 32.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.776 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.02 -27.65 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.64 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 p -67.73 -44.5 77.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.718 -179.289 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 85.3 mtt180 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.908 0.385 . . . . 10.0 110.45 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -92.89 122.92 62.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -84.7 106.74 1.09 Allowed 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.86 2.373 . . . . 10.0 112.257 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.0 mt -101.86 120.02 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 10.0 111.821 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.2 137.92 52.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 3.2 pt . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.081 0.467 . . . . 10.0 111.892 -179.087 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -105.19 140.91 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.77 103.1 11.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.144 0.497 . . . . 10.0 110.555 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -88.03 158.45 18.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.979 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -109.97 99.86 8.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -91.26 113.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mm -92.2 109.48 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.624 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.38 169.12 54.26 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.056 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.65 -26.14 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.039 0.447 . . . . 10.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -85.78 13.59 7.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.899 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m 62.86 52.61 2.64 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.635 -0.711 . . . . 10.0 112.507 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.01 154.76 22.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.494 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 8.7 tt0 -115.24 84.2 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.312 0.577 . . . . 10.0 110.003 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 43.8 mm -77.49 118.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.119 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 41.1 m170 -96.42 76.83 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.427 0.632 . . . . 10.0 110.111 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.56 117.46 15.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.589 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.79 102.02 11.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -96.44 163.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.755 . . . . 10.0 111.418 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -112.39 128.98 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.474 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -78.43 77.16 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.195 0.521 . . . . 10.0 110.729 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 174.81 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.496 179.389 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -90.87 148.58 22.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.261 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.585 ' HA ' HG23 ' A' ' 76' ' ' THR . 48.2 m80 -68.98 154.28 42.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.273 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.87 -13.32 62.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 49.2 tptt -56.11 -47.18 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.177 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 46' ' ' LYS . 23.2 tptt -67.07 -25.72 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.216 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.2 mm? -81.2 -43.24 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 10.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.01 -42.92 99.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.353 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.4 pt-20 -67.06 -44.94 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.772 -0.195 . . . . 10.0 111.096 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.4 m -61.67 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.391 . . . . 10.0 111.124 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.42 -46.02 74.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.517 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.86 -41.58 98.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.421 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 94.1 mt-30 -63.94 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -72.8 -43.47 62.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.584 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.45 -31.54 71.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.12 28.34 7.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 10.0 112.3 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -132.02 150.48 76.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.15 164.95 20.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.491 2.127 . . . . 10.0 111.158 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.7 ttt -73.73 158.69 34.17 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.582 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 77.73 4.14 2.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 10.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.9 p -84.73 -35.47 22.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.337 0.589 . . . . 10.0 110.026 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.16 141.84 45.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.066 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.9 ptt-85 -107.38 125.69 51.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.522 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 88' ' ' ILE . 71.8 m-85 -90.05 116.48 28.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.581 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.79 132.36 51.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.073 0.463 . . . . 10.0 110.967 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -139.32 117.36 11.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.59 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 63.36 25.18 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.49 -43.72 1.64 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.48 177.45 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -112.83 141.97 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 10.0 110.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -73.36 124.51 30.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.347 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -78.94 160.62 27.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.869 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.7 m-20 -67.33 -38.24 84.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.599 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -85.2 6.9 23.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -72.77 154.72 40.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.187 0.517 . . . . 10.0 110.99 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -133.45 146.23 59.79 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.604 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.447 ' HD2' HG22 ' A' ' 76' ' ' THR . 32.1 Cg_exo -62.51 -8.78 13.71 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.365 2.043 . . . . 10.0 112.573 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -69.01 -30.46 68.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.346 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 7.2 pt-20 -108.73 176.33 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 77.1 mt 73.76 -23.53 0.22 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.229 0.612 . . . . 10.0 111.414 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.89 40.55 6.2 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.893 -0.67 . . . . 10.0 113.084 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 mtt -75.17 116.12 15.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 52.1 mt-10 -115.0 -176.92 3.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 10.0 111.756 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.24 140.28 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.798 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 64.77 29.92 12.52 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.422 0.451 . . . . 10.0 110.949 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -81.56 148.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.652 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.81 122.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.048 0.452 . . . . 10.0 112.056 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' A' ' 64' ' ' PHE . 14.0 tt -129.74 135.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.29 157.12 17.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.058 0.456 . . . . 10.0 111.606 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.26 123.75 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.945 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -136.48 159.15 42.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.347 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.65 140.14 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 10.0 111.077 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.405 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -79.39 163.05 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -69.26 -24.27 63.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.493 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.66 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.252 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.274 -179.634 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.573 0.225 . . . . 10.0 110.673 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -137.68 93.89 12.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.327 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 6.8 Cg_exo -76.09 131.85 13.46 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.275 2.65 . . . . 10.0 112.656 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.0 139.03 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.1 t -111.4 130.92 64.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.252 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.601 -179.46 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 18.6 m-85 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.2 mm -97.81 125.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 5.3 ttpm? -104.33 117.38 34.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.96 0.41 . . . . 10.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.29 138.89 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.688 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 21.4 mtpt -94.93 106.0 17.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.714 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.3 t -95.42 122.5 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.72 112.72 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.646 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.61 159.97 37.16 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.501 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -68.87 -14.48 63.06 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.224 0.535 . . . . 10.0 110.628 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -95.77 9.27 41.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.75 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 m 66.64 51.51 1.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.818 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -118.46 142.11 47.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.013 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 6.1 mt-10 -88.74 85.96 6.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.7 mm -81.6 104.93 10.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 23.9 m170 -91.15 85.12 5.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.271 0.558 . . . . 10.0 110.431 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.61 116.41 21.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.964 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.24 115.84 27.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 7.7 m -105.34 161.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 10.0 112.048 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.06 117.46 34.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.768 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.0 tpp -72.82 79.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.076 0.465 . . . . 10.0 111.161 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 175.43 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.372 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -94.11 146.76 23.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.895 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.57 154.45 38.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.121 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.27 -4.73 27.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.061 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 36.7 tptt -57.96 -53.92 52.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.196 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -64.16 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.723 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.1 mm? -66.21 -41.93 89.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.94 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.09 -45.69 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.817 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.08 -35.09 73.95 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.941 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.8 m -64.77 -37.1 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 10.0 110.413 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.046 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -59.93 -45.41 92.67 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.991 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.55 -37.93 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.781 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -64.35 -34.45 78.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -87.29 -12.04 47.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.838 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.97 27.15 51.2 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.176 -0.535 . . . . 10.0 112.602 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.86 155.76 72.41 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.52 166.72 27.61 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.007 1.804 . . . . 10.0 111.793 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.0 ttt -75.96 156.65 33.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.758 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.7 t30 74.76 4.0 4.29 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.919 0.762 . . . . 10.0 111.693 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -90.79 -17.43 26.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.266 0.555 . . . . 10.0 109.907 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.9 ptt-85 -103.03 127.83 50.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.177 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HB3' HD11 ' A' ' 88' ' ' ILE . 91.8 m-85 -94.92 111.53 23.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.445 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.6 mt -102.51 121.0 41.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.203 0.525 . . . . 10.0 111.596 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -123.36 108.23 12.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.027 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 65.96 21.47 11.33 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.92 -20.36 48.16 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.783 -0.723 . . . . 10.0 112.474 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -91.09 155.67 18.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.24 -0.281 . . . . 10.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -98.19 129.81 44.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.22 0.533 . . . . 10.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.7 118.57 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.452 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -83.77 172.35 12.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.576 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.6 m-20 -74.87 -24.89 58.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.621 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.83 20.68 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.464 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -88.59 148.65 23.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.791 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -123.32 146.54 49.73 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.434 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.0 -13.61 40.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.425 2.083 . . . . 10.0 112.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -73.9 -36.38 64.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.0 pt-20 -83.82 174.37 10.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.542 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 91.8 mt 71.65 -53.09 0.69 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.404 0.681 . . . . 10.0 111.257 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.4 56.45 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.3 mtt -82.0 131.26 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.5 mm-40 -123.15 179.78 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.136 0.493 . . . . 10.0 111.463 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 19.3 tp10 -74.14 140.97 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.392 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 67.35 23.59 9.19 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.576 0.548 . . . . 10.0 110.359 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -71.22 159.63 34.29 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.553 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -114.19 130.63 68.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.146 0.498 . . . . 10.0 111.62 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.1 tt -136.83 141.21 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.45 149.08 26.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.922 0.391 . . . . 10.0 111.749 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -129.59 122.92 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.494 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -128.08 159.83 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.608 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -79.14 126.47 30.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.233 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -72.98 148.04 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -65.57 -17.37 64.53 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.118 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.94 -26.81 64.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.793 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.112 -179.799 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.44 0 CA-C-O 120.649 0.262 . . . . 10.0 110.604 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -129.46 110.5 17.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.129 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.2 Cg_endo -80.04 124.47 5.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.823 2.348 . . . . 10.0 111.457 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.1 mt -120.12 122.95 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 28.5 t -108.34 120.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.131 -0.692 . . . . 10.0 109.131 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 10.0 111.325 -179.403 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mm -83.38 129.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.8 ttpm? -100.0 112.61 24.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.273 0.558 . . . . 10.0 111.167 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.2 mt -100.96 143.4 31.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.208 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -96.92 108.26 20.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.741 0.305 . . . . 10.0 110.503 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.2 t -89.95 121.75 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -103.07 120.53 53.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.682 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.35 176.27 35.37 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.363 -0.695 . . . . 10.0 111.363 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.68 -20.09 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.015 0.436 . . . . 10.0 111.058 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.57 5.78 30.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m 63.67 72.29 0.47 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.7 179.46 4.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.924 -1.035 . . . . 10.0 110.322 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 1.0 OUTLIER -138.22 53.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.437 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.8 mm -63.61 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -109.36 99.83 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.501 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.42 113.93 26.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.396 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HD2' HG22 ' B' ' 363' ' ' VAL . 86.4 mttt -89.05 102.42 15.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.044 0.449 . . . . 10.0 109.821 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.6 m -98.78 167.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.809 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -103.43 124.25 48.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.283 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB ' ' A' ' 41' ' ' THR . 54.6 tpp -80.65 74.77 7.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.19 0.519 . . . . 10.0 110.764 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.524 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.7 t 174.79 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.794 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -93.46 151.69 19.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.874 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' HA ' HG22 ' A' ' 76' ' ' THR . 59.8 m80 -63.3 149.03 46.66 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.021 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 47' ' ' LEU . 47.8 mt -68.89 -6.98 30.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.751 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.1 tptt -56.37 -52.36 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.22 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -66.7 -29.69 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.042 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.5 mm? -74.01 -44.47 54.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.436 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -60.15 -47.63 85.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.508 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.97 -39.16 93.07 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.154 -0.218 . . . . 10.0 110.961 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.3 m -63.07 -37.58 87.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.625 0.25 . . . . 10.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.3 t80 -65.75 -39.96 91.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.0 m -62.83 -43.1 99.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.75 -38.79 92.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -61.32 -40.33 93.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.562 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.1 mm100 -78.33 -26.21 46.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 10.0 110.58 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.17 34.07 7.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.932 -0.651 . . . . 10.0 112.046 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.68 156.29 80.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.58 163.77 35.58 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.2 1.934 . . . . 10.0 111.124 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttt -75.94 157.04 33.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 10.0 110.816 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 71.45 19.47 5.18 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.656 0.782 . . . . 10.0 111.596 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.3 p -97.95 -35.54 10.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.9 mt -111.84 143.63 42.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.848 -1.069 . . . . 10.0 109.959 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.531 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.9 ptt180 -110.33 127.72 55.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -91.76 119.96 32.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.905 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -110.27 118.62 36.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.257 0.551 . . . . 10.0 111.372 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -119.21 111.76 18.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 62.7 26.79 15.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.2 0.524 . . . . 10.0 110.155 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.5 -26.03 19.91 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.973 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -85.43 138.45 32.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.669 0.271 . . . . 10.0 110.797 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -81.89 129.7 34.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.079 0.466 . . . . 10.0 110.137 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.43 123.24 22.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.701 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 166.44 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.834 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.9 m-20 -72.87 -27.57 61.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.911 0.386 . . . . 10.0 110.963 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -92.41 11.91 24.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.464 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -84.41 151.29 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.823 0.344 . . . . 10.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 43' ' ' HIS . 70.9 p -126.25 158.02 68.08 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.992 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.9 -14.36 38.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.467 2.111 . . . . 10.0 112.101 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.79 -43.78 65.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.4 pt-20 -82.11 172.53 13.09 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 mt 74.25 -47.16 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.107 0.563 . . . . 10.0 110.364 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.64 46.56 0.9 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.165 -0.541 . . . . 10.0 112.659 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.7 mtt -75.92 113.18 13.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.718 0.294 . . . . 10.0 110.644 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 31.6 mm-40 -109.06 175.49 5.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.703 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.531 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 15.7 tp10 -70.0 143.18 52.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 67.4 22.54 9.4 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.479 0.487 . . . . 10.0 111.299 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -77.85 159.74 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.361 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -109.13 130.68 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.14 0.495 . . . . 10.0 112.206 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 18.6 tt -133.87 135.88 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -105.33 152.7 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 10.0 111.617 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.36 124.4 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.657 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -130.59 169.08 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.891 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.91 141.49 28.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.662 0.268 . . . . 10.0 110.692 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.0 mm-40 -77.95 161.98 27.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.149 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -68.16 -21.91 64.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.087 0.47 . . . . 10.0 110.582 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -32.51 60.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 C-N-CA 121.077 -0.583 . . . . 10.0 112.523 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 8.5 ptp180 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.898 0.38 . . . . 10.0 110.824 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 360' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 26.0 t0 -137.53 112.15 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.174 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 360' ' ' ASP . 4.1 Cg_exo -73.98 105.22 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.979 2.453 . . . . 10.0 112.725 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 48.1 mt -96.61 120.3 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 363' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 37' ' ' LYS . 3.3 t -123.16 131.23 73.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.245 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.739 0.304 . . . . 10.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -100.92 132.85 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.072 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 9.5 ttpp -114.38 99.48 7.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 10.0 110.661 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.41 155.4 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.937 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 50.9 mtpt -109.48 108.79 19.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -95.19 114.33 31.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -84.21 113.43 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.978 0.418 . . . . 10.0 110.52 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.77 169.13 42.32 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.446 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.38 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.029 0.443 . . . . 10.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.49 21.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.475 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 60.61 36.61 19.69 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.911 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.4 157.6 16.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.051 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' B' ' 359' ' ' ARG . 28.6 mt-10 -119.74 75.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.9 mm -66.81 124.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.758 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 4.4 m170 -97.65 84.26 3.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.414 0.626 . . . . 10.0 110.096 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -79.26 114.02 17.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.332 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -88.29 109.58 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -105.15 164.65 3.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.815 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -105.92 118.63 37.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.6 tpp -74.07 78.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.333 0.587 . . . . 10.0 110.769 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.2 t 175.74 -25.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.544 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -94.76 143.17 26.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.333 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.93 153.56 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.666 0.27 . . . . 10.0 110.617 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.35 -8.51 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.714 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 27.1 tptt -58.78 -52.61 64.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 10.0 110.399 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -68.0 -32.04 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.436 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.07 -46.12 78.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.6 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.847 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 pt-20 -68.08 -35.37 78.08 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.807 -0.357 . . . . 10.0 111.309 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.7 m -65.69 -36.65 84.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.911 0.386 . . . . 10.0 110.447 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.87 -36.37 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.049 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -63.35 -44.62 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.057 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 74.7 mt-30 -62.22 -34.78 77.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.511 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HG2' HD13 ' B' ' 362' ' ' ILE . 22.4 tpt180 -66.8 -42.19 86.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.809 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -78.91 -12.15 60.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.217 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.89 30.62 42.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.394 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.79 153.9 81.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 122.85 -0.206 . . . . 10.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.76 165.63 31.47 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.281 1.987 . . . . 10.0 111.113 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 17.2 ttt -76.09 160.55 29.67 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.307 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 59' ' ' MET . 6.1 m-20 74.66 9.66 4.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.208 0.603 . . . . 10.0 111.604 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 p -92.66 -38.25 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.172 0.51 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 92' ' ' GLN . 39.6 mt -113.51 148.37 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.714 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 18.7 ptt-85 -110.18 133.59 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.407 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.66 118.74 32.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.52 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 54.6 mt -106.82 130.47 54.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.109 0.481 . . . . 10.0 111.028 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -137.65 115.28 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.904 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 61.8 30.2 18.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.049 0.452 . . . . 10.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.07 -24.83 16.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.553 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -88.55 164.6 15.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -107.16 132.7 52.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.893 0.378 . . . . 10.0 110.331 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.89 122.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.389 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 174.71 11.3 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 m-20 -82.25 -15.41 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.019 0.437 . . . . 10.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -109.27 20.78 17.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 148.05 25.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.436 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 142.05 31.61 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.409 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.98 -15.81 29.31 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.65 2.233 . . . . 10.0 113.002 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -79.5 -21.41 45.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 10.0 110.403 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.51 168.06 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.703 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 71.82 -50.22 0.69 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.717 0.636 . . . . 10.0 111.145 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.86 57.99 0.25 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.559 -0.616 . . . . 10.0 111.559 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.3 mtt -84.63 122.77 29.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 10.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -115.24 -175.67 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.9 142.98 39.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 19.5 mm-40 60.85 33.29 20.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.02 0.438 . . . . 10.0 110.754 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.41 158.43 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.215 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.48 130.7 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.134 0.492 . . . . 10.0 111.95 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 tt -134.13 133.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 1.7 mt-10 -100.44 151.93 20.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.978 0.418 . . . . 10.0 111.339 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.23 118.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.67 165.0 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.416 ' HA ' HD23 ' A' ' 62' ' ' LEU . 17.9 tt0 -76.39 134.42 39.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.982 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.5 mm-40 -76.57 165.1 25.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.353 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.82 -36.34 83.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.488 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 p -65.84 -48.64 70.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.7 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.813 179.584 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 33' ' ' GLU . 28.8 mtt180 . . . . . 0 C--O 1.234 0.27 0 CA-C-O 121.179 0.514 . . . . 10.0 111.131 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -128.33 111.19 19.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.234 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 62.4 Cg_endo -76.31 134.82 16.07 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.973 2.448 . . . . 10.0 112.481 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 362' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 54' ' ' ARG . 25.4 mt -135.6 125.77 42.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 14.1 t -108.3 134.13 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.248 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 10.9 pt . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.457 . . . . 10.0 111.63 -179.724 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.502 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 16.2 mm -84.45 130.67 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.368 . . . . 10.0 110.476 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . 5.0 mtpm? -103.76 111.22 23.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.7 130.27 45.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.726 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -91.48 113.88 26.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 10.0 111.131 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.448 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.0 t -98.58 118.41 45.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.327 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.9 mm -95.57 119.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.836 0.35 . . . . 10.0 111.119 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.62 165.57 26.02 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.747 -0.74 . . . . 10.0 111.649 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 10.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.54 13.39 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.624 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m 66.19 40.0 4.01 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.44 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.87 154.58 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.096 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 37.5 mt-10 -125.51 69.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.976 -0.749 . . . . 10.0 108.976 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.448 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 35.9 mm -67.85 135.45 28.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.696 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.8 OUTLIER -110.57 94.17 4.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.132 0.492 . . . . 10.0 110.013 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.54 113.66 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.221 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -86.02 99.14 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.502 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 17.0 m -97.99 159.39 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.505 0.669 . . . . 10.0 112.337 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' HG22 ' A' ' 41' ' ' THR . 86.3 tttt -102.63 118.35 36.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.801 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.545 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.0 tpp -76.51 84.41 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 10.0 111.651 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.0 t 171.11 -36.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.84 178.478 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -87.28 143.88 27.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.274 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -61.72 152.5 30.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.599 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 75' ' ' HIS . 6.4 mt -65.13 -8.43 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.646 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 39.9 tptt -56.52 -48.32 77.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.113 0.482 . . . . 10.0 110.06 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -69.79 -31.96 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.852 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 44' ' ' LEU . 3.1 mm? -70.49 -44.99 66.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.18 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -60.08 -46.81 88.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.219 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.88 -37.74 84.96 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.275 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.0 m -63.0 -38.46 91.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.729 0.3 . . . . 10.0 110.959 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -67.59 -40.64 84.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.728 0.299 . . . . 10.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 60.9 m -61.92 -45.83 92.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 10.0 110.104 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -68.47 -25.42 64.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.632 ' HG2' HD13 ' B' ' 362' ' ' ILE . 21.9 tpt180 -70.32 -41.67 72.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -74.87 -26.53 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.398 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.97 29.41 8.59 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.915 -0.659 . . . . 10.0 111.877 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.43 154.48 79.26 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.99 169.31 15.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.342 2.028 . . . . 10.0 111.479 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -80.46 158.27 25.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.893 -0.323 . . . . 10.0 110.456 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 74.25 9.39 4.5 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.798 0.687 . . . . 10.0 111.387 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -90.59 -40.77 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.473 0.654 . . . . 10.0 109.61 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 mt -107.02 138.76 42.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.3 ptt-85 -102.15 126.98 49.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -91.34 117.92 30.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.284 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.56 131.0 55.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.182 0.515 . . . . 10.0 111.3 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -136.29 114.48 11.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.21 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 61.8 31.16 18.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.365 0.602 . . . . 10.0 110.699 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.55 -25.77 12.29 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.693 -0.685 . . . . 10.0 113.182 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -85.13 152.06 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.673 0.273 . . . . 10.0 110.979 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -93.76 128.08 39.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.158 0.504 . . . . 10.0 109.932 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.7 mm -68.92 121.65 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.99 176.0 8.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.0 m-20 -84.2 -12.51 54.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.467 0.651 . . . . 10.0 110.06 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -105.4 27.35 8.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.547 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.433 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.42 138.75 33.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.83 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.63 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.4 139.47 25.39 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.74 -7.8 8.13 Favored 'Trans proline' 0 N--CA 1.477 0.554 0 C-N-CA 122.657 2.238 . . . . 10.0 113.426 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -85.63 -16.79 38.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.331 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.2 pt-20 -103.32 176.01 5.29 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.939 -0.305 . . . . 10.0 110.642 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -63.35 0.43 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.844 0.715 . . . . 10.0 110.336 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.16 59.79 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.056 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -96.99 128.53 44.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.691 0.281 . . . . 10.0 110.373 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.2 mm-40 -132.75 179.09 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.788 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE2' ' HB2' ' A' ' 23' ' ' LYS . 52.1 tp10 -65.06 137.04 57.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.657 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 65.7 36.77 6.12 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.713 0.633 . . . . 10.0 111.416 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -84.52 171.4 12.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.143 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.57 125.46 73.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.896 0.379 . . . . 10.0 111.323 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.2 tt -128.11 136.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.514 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -102.47 151.97 21.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.874 0.369 . . . . 10.0 111.103 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -140.22 123.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.929 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.15 160.93 36.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.51 133.35 33.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.948 0.404 . . . . 10.0 110.697 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.478 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.7 mm-40 -73.38 155.35 39.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.382 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.42 -17.52 64.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -18.06 60.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.488 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 91.9 mtt180 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.762 0.315 . . . . 10.0 111.455 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -159.16 112.14 1.56 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.358 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.3 Cg_endo -82.1 115.84 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.443 2.095 . . . . 10.0 112.075 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 362' ' ' ILE . . . . . 0.632 HD13 ' HG2' ' A' ' 54' ' ' ARG . 24.2 mt -107.73 123.49 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.38 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.61 131.58 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 10.0 111.975 -179.019 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -95.89 126.54 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.446 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.4 ttpm? -108.45 106.52 16.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.62 137.74 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.077 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -97.97 111.17 23.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.823 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -92.57 119.94 41.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.654 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mm -95.49 113.08 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.48 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.47 170.8 41.05 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.056 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.78 -21.73 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 10.0 111.007 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -91.78 12.23 22.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.794 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 m 65.97 49.95 1.54 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.47 167.34 12.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.418 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.545 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 15.5 tt0 -133.01 65.66 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.429 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.0 mm -68.03 134.75 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.033 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 30.6 m170 -104.17 102.45 12.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.607 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.66 114.34 26.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -89.82 102.79 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.2 160.48 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.024 0.44 . . . . 10.0 111.357 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -108.4 139.89 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.224 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.2 tpp -81.21 79.77 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 40' ' ' MET . 13.7 t 169.54 -20.49 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 148.18 22.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.761 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -72.51 148.52 44.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HA ' HD23 ' A' ' 47' ' ' LEU . 86.7 mt -73.6 -3.83 30.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.135 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 15.7 tttp -57.8 -53.48 57.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.373 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -64.0 -32.68 74.3 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.45 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.9 mm? -64.99 -39.71 93.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.134 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.58 -50.67 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.754 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -69.31 -36.46 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.459 -179.029 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.1 m -62.41 -40.94 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.793 0.33 . . . . 10.0 110.716 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -65.9 -37.78 87.0 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.17 -42.96 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.0 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.69 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.063 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -60.32 -40.97 92.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.351 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.26 -24.7 29.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.624 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.5 41.85 4.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.211 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -131.71 155.35 81.53 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.08 167.14 18.79 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.307 2.005 . . . . 10.0 112.218 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.91 136.69 56.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.253 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.36 24.61 8.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.257 -0.883 . . . . 10.0 112.781 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -83.89 -29.51 27.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.47 0.652 . . . . 10.0 109.715 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.6 mt -115.84 138.87 50.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.173 -0.922 . . . . 10.0 110.457 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -100.92 126.25 47.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.838 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HB3' HD11 ' A' ' 88' ' ' ILE . 84.5 m-85 -91.71 116.08 28.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' GLN . 79.1 mt -103.03 118.52 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.29 0.567 . . . . 10.0 111.3 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -123.8 112.4 17.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.349 -0.841 . . . . 10.0 108.888 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 62.86 33.17 15.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.194 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.33 -17.42 51.99 Favored Glycine 0 CA--C 1.52 0.363 0 CA-C-N 115.943 -0.571 . . . . 10.0 113.473 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 19.0 mt-30 -98.21 161.5 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.607 -0.349 . . . . 10.0 110.691 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 129.97 50.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.5 mm -60.34 126.62 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 10.0 112.187 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.05 163.81 14.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.094 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -68.98 -32.96 72.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.939 0.4 . . . . 10.0 111.54 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -90.54 4.28 51.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.265 -0.272 . . . . 10.0 111.551 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.48 144.08 48.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.213 0.53 . . . . 10.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 42.0 p -118.79 158.68 46.94 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.317 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 11.7 Cg_exo -70.91 -9.43 25.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.145 1.897 . . . . 10.0 111.849 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -78.03 -40.59 38.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.922 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 9.3 pt-20 -81.61 167.72 18.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 4.0 mt 73.35 -54.49 0.69 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.766 0.666 . . . . 10.0 111.268 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.05 79.39 0.68 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.992 -0.623 . . . . 10.0 111.736 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -115.51 122.56 46.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.588 0.232 . . . . 10.0 110.478 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.4 mm-40 -124.86 -176.69 3.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 10.0 111.031 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 3.9 tp10 -68.5 145.45 54.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.1 mm-40 67.95 21.84 8.78 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.461 0.475 . . . . 10.0 111.612 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -79.03 160.34 27.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.604 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.77 135.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.051 0.453 . . . . 10.0 111.842 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 64' ' ' PHE . 19.7 tt -135.33 141.21 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.344 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.93 148.93 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.828 0.347 . . . . 10.0 111.28 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.95 122.66 54.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.187 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -132.8 157.38 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.849 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.98 142.86 31.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.62 0.248 . . . . 10.0 110.764 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.11 155.23 32.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.983 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -21.21 62.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.067 0.461 . . . . 10.0 110.332 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -5.86 52.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.42 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.472 179.811 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.5 ptp85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.146 0.498 . . . . 10.0 111.922 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -119.02 113.87 35.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.378 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.1 Cg_endo -79.93 123.45 5.19 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.659 2.24 . . . . 10.0 113.41 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.23 122.93 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.716 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.69 119.37 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.218 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.71 0.291 . . . . 10.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.9 mm -122.7 121.41 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.97 96.39 7.0 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.109 0.481 . . . . 10.0 111.181 -178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.0 mt -83.22 150.66 26.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -107.36 104.14 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.17 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.1 t -89.55 123.0 41.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.323 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mm -91.51 114.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.714 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.74 169.23 50.37 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.839 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.99 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 10.0 111.196 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.48 18.48 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m 63.62 49.85 2.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.074 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 158.61 15.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.045 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.616 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.4 tt0 -117.54 77.78 1.17 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.49 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 28.5 mm -74.77 127.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.329 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 27.5 m170 -99.58 87.46 3.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.22 0.533 . . . . 10.0 110.196 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.01 108.91 15.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.329 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -85.92 97.42 10.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -95.27 162.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.567 . . . . 10.0 111.687 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -105.52 120.52 41.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.469 ' O ' ' HB ' ' A' ' 41' ' ' THR . 59.0 tpp -70.56 83.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 10.0 111.258 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.5 t 170.21 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.63 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -81.66 138.25 35.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.574 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 145.69 55.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.99 -17.1 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.638 0.256 . . . . 10.0 111.157 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -54.88 -45.23 74.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 10.0 109.938 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -70.34 -36.93 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.975 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 47' ' ' LEU . 3.2 mm? -68.25 -41.35 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.123 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -59.79 -47.5 85.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.574 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.3 pt-20 -69.96 -39.52 75.94 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.966 -0.294 . . . . 10.0 111.454 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -59.44 -37.81 79.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.879 0.371 . . . . 10.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.31 -40.78 81.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.139 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.7 m -61.5 -41.83 97.89 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.265 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.2 mt-30 -60.84 -41.53 95.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.906 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -30.69 68.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.346 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -79.94 -27.97 39.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 10.0 110.957 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.35 18.68 30.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.316 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.0 m -122.07 153.5 61.08 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.51 164.78 31.51 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.48 2.12 . . . . 10.0 111.348 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.4 ttt -73.41 159.95 32.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.738 -0.385 . . . . 10.0 110.501 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t30 70.3 20.41 6.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 p -102.82 -43.9 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 10.0 110.215 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -103.47 137.49 41.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.0 ptt-85 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 10.0 109.914 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HB3' HD11 ' A' ' 88' ' ' ILE . 86.8 m-85 -91.5 118.44 30.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.064 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.0 mt -100.46 125.83 46.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.255 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -126.99 98.24 5.25 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.176 -0.92 . . . . 10.0 109.259 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 63.18 24.42 14.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.772 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -26.97 17.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.777 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -87.32 145.57 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.634 0.254 . . . . 10.0 110.634 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -94.79 117.9 30.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 10.0 110.063 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -56.82 126.74 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.191 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.05 168.7 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.874 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.87 -20.63 45.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.119 0.485 . . . . 10.0 110.714 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -92.54 4.51 53.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.919 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -82.62 151.44 26.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.899 0.381 . . . . 10.0 111.099 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.96 150.2 68.42 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.649 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.81 -8.67 16.29 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 122.693 2.262 . . . . 10.0 113.335 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -78.29 -20.86 50.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 10.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.8 pt-20 -110.43 -179.4 3.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.235 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.98 -10.07 0.79 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.172 0.589 . . . . 10.0 112.105 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.76 53.48 3.99 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.9 mtt -92.68 123.54 36.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.816 0.341 . . . . 10.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 5.1 mm-40 -127.49 178.53 6.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 27.4 tp10 -70.17 135.38 49.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.424 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 13.0 mm-40 76.5 17.8 1.86 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.785 0.678 . . . . 10.0 111.402 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -72.97 143.17 47.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.952 0.406 . . . . 10.0 110.109 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -95.33 131.89 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.759 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 7.3 tt -136.02 124.95 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.365 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.22 155.26 16.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.772 0.32 . . . . 10.0 111.071 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.09 126.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.123 0.487 . . . . 10.0 110.631 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.77 158.12 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.68 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -87.71 137.9 31.93 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.727 -0.389 . . . . 10.0 111.083 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.2 mm-40 -71.46 164.26 26.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.09 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 10.0 110.523 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -34.61 77.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.419 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.45 179.803 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.616 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.4 ptp180 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.02 0.438 . . . . 10.0 111.655 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -148.73 106.99 3.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.75 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.557 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 3.9 Cg_exo -79.55 135.45 11.71 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.034 2.489 . . . . 10.0 113.438 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.66 138.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.519 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 1.7 t -119.95 152.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.219 0.533 . . . . 10.0 111.792 -179.259 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 38' ' ' VAL . 51.0 mm -69.41 117.48 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -107.6 115.9 30.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.657 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.47 133.91 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.848 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -97.89 102.93 14.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.319 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -85.74 111.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.087 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' SER . 32.9 mm -91.1 117.32 34.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.001 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.99 162.96 32.95 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.533 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -67.73 -16.25 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.69 0.281 . . . . 10.0 111.373 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -92.69 21.23 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 10.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m 65.05 41.92 4.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.995 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 2.8 p -101.88 145.81 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.489 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 20.9 tt0 -119.49 80.99 1.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.24 0.543 . . . . 10.0 109.563 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.2 mm -74.68 126.38 35.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.693 -178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 18.3 m170 -98.89 87.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.278 0.561 . . . . 10.0 110.024 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -86.61 113.26 22.35 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.61 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.0 113.95 25.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.903 0.383 . . . . 10.0 109.978 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 22' ' ' ILE . 5.5 m -103.54 159.77 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.342 0.591 . . . . 10.0 111.471 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -95.19 122.12 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.187 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.572 ' O ' ' HB ' ' A' ' 41' ' ' THR . 6.7 tpt -73.5 74.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.283 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.7 t 168.06 -24.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.284 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.8 m -89.14 142.3 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.971 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' HA ' HG23 ' A' ' 76' ' ' THR . 1.5 m-70 -63.64 144.0 57.37 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.248 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.86 -9.68 46.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.465 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 32.2 tptt -59.43 -45.75 90.67 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 177.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -66.66 -39.58 88.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.943 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.0 mm? -63.24 -47.26 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.6 -50.4 73.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.307 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 25.1 pt-20 -67.23 -36.5 81.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.807 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -70.63 -33.23 70.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 10.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -66.68 -39.25 88.05 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.17 -40.5 90.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.831 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 76.3 mt-30 -63.96 -36.83 85.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.477 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HG2' HD13 ' B' ' 362' ' ' ILE . 15.7 tpt85 -64.1 -36.61 84.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.44 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -79.63 -18.9 50.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.449 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.3 27.73 24.57 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.434 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.47 156.84 79.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.835 0.317 . . . . 10.0 110.546 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.73 167.61 26.06 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.288 1.992 . . . . 10.0 111.669 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 19.9 ttt -75.09 162.77 28.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' MET . 5.1 m-20 72.47 15.55 5.09 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.245 0.618 . . . . 10.0 111.558 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 p -99.15 -45.43 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.623 . . . . 10.0 109.649 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 mt -108.3 142.83 38.02 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.158 -0.928 . . . . 10.0 110.744 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.5 ptt-85 -111.85 132.49 54.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -95.22 121.76 37.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.129 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -106.64 121.67 44.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.058 0.456 . . . . 10.0 111.131 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -127.93 117.75 22.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.096 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 65.18 19.55 11.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 123.431 0.457 . . . . 10.0 111.645 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.39 -22.68 38.87 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.198 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.12 169.97 9.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.489 0.185 . . . . 10.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.82 134.25 49.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -65.35 119.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.182 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.52 167.09 22.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.722 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.6 m-20 -74.78 -27.92 60.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.026 0.441 . . . . 10.0 110.77 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.31 25.1 6.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.622 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 154.1 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.022 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -139.56 153.35 70.36 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.665 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' PRO . . . . . 0.557 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 20.9 Cg_exo -65.55 -8.62 19.71 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.395 2.063 . . . . 10.0 111.869 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -73.56 -17.54 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.792 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 76' ' ' THR . 4.6 pt-20 -118.82 175.91 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.48 -60.89 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.796 0.685 . . . . 10.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.37 76.15 0.19 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.087 -0.578 . . . . 10.0 111.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 62.2 mtt -110.98 120.04 41.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 40.2 mt-10 -118.23 -172.87 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 10.0 111.244 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.72 141.01 48.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.695 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 66.56 23.44 10.4 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.672 0.608 . . . . 10.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -75.93 133.42 40.5 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.63 133.02 32.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.234 0.54 . . . . 10.0 111.983 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 20.4 tt -133.91 146.84 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 10.0 108.294 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.96 156.9 22.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.817 0.342 . . . . 10.0 111.49 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.38 131.48 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.532 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -134.78 173.54 11.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.976 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.01 140.21 32.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.698 0.285 . . . . 10.0 110.768 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 mm-40 -73.04 155.08 40.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.023 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.91 -30.89 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 10.0 111.42 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -9.41 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.842 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.203 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.397 -179.863 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.1 ptp180 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.656 0.265 . . . . 10.0 111.308 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -143.07 118.33 6.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.194 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.55 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 69.0 Cg_endo -78.23 128.07 8.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.688 2.259 . . . . 10.0 113.03 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 362' ' ' ILE . . . . . 0.52 HD13 ' HG2' ' A' ' 54' ' ' ARG . 12.7 mt -128.79 134.15 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.11 150.64 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 10.0 111.299 -179.825 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.181 -0.303 . . . . 10.0 110.181 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.8 mm -90.08 123.83 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -105.13 119.85 40.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.046 0.451 . . . . 10.0 110.796 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.3 mt -103.04 142.47 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.279 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -100.24 103.42 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.448 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.474 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.3 t -87.14 112.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.9 mm -94.05 116.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.977 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.9 169.7 37.08 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.034 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -64.2 -26.8 68.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.967 0.413 . . . . 10.0 111.089 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.1 20.91 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 m 56.72 55.18 6.53 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.444 0.64 . . . . 10.0 111.78 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -111.05 138.93 46.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.645 178.881 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 29.5 tt0 -109.09 87.49 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.271 0.558 . . . . 10.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.6 mm -78.71 122.91 34.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.015 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 19.4 m170 -97.77 86.43 3.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.45 119.33 26.6 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.801 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -88.31 104.63 16.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ILE . 6.1 m -99.17 163.22 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.6 0.714 . . . . 10.0 112.112 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.71 123.94 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.871 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 tpt -79.37 63.27 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.131 0.491 . . . . 10.0 110.877 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -176.84 -29.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -89.05 148.39 23.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.811 0.338 . . . . 10.0 110.69 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -66.03 154.16 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.425 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HA ' HD23 ' A' ' 47' ' ' LEU . 29.7 mt -66.55 -10.37 44.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.488 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -57.47 -45.73 84.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 10.0 109.958 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -65.88 -33.62 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.117 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mm? -76.4 -45.42 31.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.277 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -65.29 -39.6 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.556 0.217 . . . . 10.0 111.429 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' HG21 ' B' ' 364' ' ' ILE . 17.5 m -71.22 -33.24 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.667 0.27 . . . . 10.0 111.237 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.87 -38.49 91.27 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 60.2 m -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.081 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.63 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.252 0.549 . . . . 10.0 110.133 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.73 -40.65 95.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.612 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.53 -29.49 63.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.895 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.41 28.68 10.24 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.066 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 m -136.28 153.22 76.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.45 161.98 29.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.28 1.987 . . . . 10.0 111.987 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.526 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 18.4 ttt -70.84 153.52 42.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.652 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 59' ' ' MET . 1.8 m-20 81.3 -9.0 1.33 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.931 0.892 . . . . 10.0 111.884 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 m -75.41 -28.06 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.221 0.534 . . . . 10.0 109.934 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.0 mt -113.04 135.84 53.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.222 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.5 ptt-85 -102.9 132.97 48.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.151 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 46.4 m-85 -95.33 117.13 29.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.895 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.84 118.34 36.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.175 0.512 . . . . 10.0 110.775 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -136.93 123.78 21.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 63.71 17.92 10.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.403 0.439 . . . . 10.0 110.853 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.94 -8.34 80.01 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.108 -0.567 . . . . 10.0 111.997 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -100.81 165.97 11.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.361 . . . . 10.0 110.57 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -95.59 122.26 38.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.632 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 64' ' ' PHE . 32.9 mm -68.37 116.6 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.028 0.442 . . . . 10.0 110.778 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.33 162.23 18.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.85 -22.34 64.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.697 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -93.52 5.1 52.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.174 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.19 149.76 27.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 10.0 111.025 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -123.5 143.14 40.73 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.763 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -13.69 28.68 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.587 2.191 . . . . 10.0 113.043 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -22.34 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.289 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -106.19 179.3 4.31 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 54.7 mt 71.08 -61.86 0.47 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.751 0.657 . . . . 10.0 111.064 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.79 72.18 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.389 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.1 mtt -116.88 123.51 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 26.1 mt-10 -130.1 -171.05 2.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.237 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.7 tp10 -73.73 144.76 45.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.74 30.24 16.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.933 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -80.24 154.11 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.426 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.37 132.03 59.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.7 tt -136.99 142.29 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.17 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.56 153.03 24.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.982 0.42 . . . . 10.0 111.046 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.31 134.1 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.124 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -137.95 171.39 14.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.616 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -88.62 136.86 32.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.799 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 9.2 mm-40 -77.93 151.26 33.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.17 -36.56 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.606 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -69.08 -27.51 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.039 0.447 . . . . 10.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.501 0 C-N-CA 120.722 -0.751 . . . . 10.0 111.326 -178.795 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 31.8 mtp180 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 120.558 0.218 . . . . 10.0 110.673 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -128.7 108.54 18.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.978 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.9 Cg_exo -77.31 124.93 7.43 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.877 2.385 . . . . 10.0 112.156 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.08 130.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.788 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 12.5 t -130.04 129.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 364' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 50' ' ' SER . 1.1 pt . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 10.0 111.238 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.22 117.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.3 ttpm? -104.5 117.17 33.49 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.882 0.373 . . . . 10.0 110.788 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.7 mt -103.76 136.22 43.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.731 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG2' ' NE2' ' A' ' 35' ' ' HIS . 8.1 mttm -90.76 109.94 21.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.255 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.05 112.55 29.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.342 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -81.41 119.85 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -91.53 169.16 32.58 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 10.0 112.682 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -65.71 -32.06 73.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 10.0 111.454 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.75 29.75 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.395 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m 63.09 30.74 16.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.694 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -85.39 158.09 20.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.664 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -133.88 75.8 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.87 130.34 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.009 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.7 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.8 m170 -104.66 98.25 8.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.106 0.479 . . . . 10.0 110.981 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.62 122.07 32.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.102 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -94.88 100.89 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.04 167.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.102 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -112.05 133.17 54.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.555 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.3 tpp -74.95 83.94 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.474 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 171.1 -26.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.94 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -93.36 145.0 24.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -70.01 150.56 46.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.097 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.2 mt -66.85 -9.61 39.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.988 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 9.8 tptt -52.96 -53.13 54.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.841 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.342 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 47' ' ' LEU . 2.8 mm? -70.85 -41.96 70.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.074 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.8 -44.68 96.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.591 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.67 -35.42 72.83 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.763 -0.375 . . . . 10.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.2 m -64.96 -36.8 85.57 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.857 0.361 . . . . 10.0 110.418 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -65.36 -39.35 92.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.104 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.9 m -59.56 -41.98 91.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.183 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.56 -39.09 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -65.91 -29.84 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.298 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.95 -11.86 46.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.96 65.78 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 113.03 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 m -131.92 152.01 79.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.81 165.06 29.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.271 1.981 . . . . 10.0 111.995 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 8.4 ttt -70.99 165.95 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 10.0 111.474 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 59' ' ' MET . 2.2 m120 74.97 0.91 3.66 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.421 -0.808 . . . . 10.0 112.075 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.5 p -87.96 -43.8 11.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.302 0.573 . . . . 10.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.2 mt -103.06 138.46 39.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.143 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.413 ' HD3' ' NH1' ' A' ' 70' ' ' ARG . 13.9 ptt-85 -107.89 137.19 46.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.311 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.7 120.5 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.345 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -112.06 107.03 15.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.072 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -114.55 117.06 29.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.343 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 64.17 19.62 11.85 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.13 0.49 . . . . 10.0 110.379 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.27 -8.33 79.43 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.002 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.44 147.67 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH1' ' HD3' ' A' ' 63' ' ' ARG . 3.7 mmm180 -83.3 108.48 16.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.735 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 mm -60.82 118.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.192 0.52 . . . . 10.0 111.91 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.0 169.02 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.3 m-20 -73.92 -34.67 64.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.011 0.434 . . . . 10.0 111.394 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.2 7.25 22.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.687 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -79.38 143.75 34.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.033 0.445 . . . . 10.0 111.035 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.2 146.28 44.09 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.154 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.25 -11.78 27.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.448 2.099 . . . . 10.0 112.015 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.65 -37.5 82.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.572 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 1.1 pt-20 -97.72 -177.07 3.66 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 25.2 mt 71.18 -60.53 0.51 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.529 0.518 . . . . 10.0 110.695 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.51 64.54 0.12 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.095 -0.574 . . . . 10.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.1 mtt -99.63 126.8 45.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.53 -173.4 3.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.68 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 8.7 tp10 -77.0 145.35 38.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.055 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 66.73 23.19 10.21 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.747 0.655 . . . . 10.0 111.611 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.55 163.94 24.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.72 134.89 62.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.012 0.434 . . . . 10.0 111.55 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -134.19 134.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -98.06 145.92 26.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.951 0.405 . . . . 10.0 111.735 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.6 p -131.54 131.4 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.794 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -138.07 163.74 30.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.875 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -85.35 135.29 33.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.875 0.369 . . . . 10.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.23 154.9 41.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.746 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.803 . . . . 10.0 111.411 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.16 -23.24 57.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 10.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.229 -179.623 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 359' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.516 0.198 . . . . 10.0 110.729 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 360' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 6.1 p-10 -139.13 141.4 29.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.265 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.7 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 9.5 Cg_endo -88.94 133.77 2.53 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.081 2.521 . . . . 10.0 113.12 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.43 126.3 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.676 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 6.8 t -124.33 126.12 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 6.2 pt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.65 0.262 . . . . 10.0 110.826 179.751 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.387 -0.227 . . . . 10.0 110.387 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -105.65 127.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -99.39 110.0 22.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.093 0.473 . . . . 10.0 111.974 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -101.19 133.7 45.34 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -100.33 113.27 25.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.156 0.503 . . . . 10.0 111.44 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.431 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.9 t -96.64 118.52 43.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.66 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -88.43 106.81 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.89 0.376 . . . . 10.0 110.238 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.22 178.37 41.24 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 10.0 112.547 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -65.01 -28.88 69.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.807 0.337 . . . . 10.0 111.33 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.66 11.1 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.7 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m 62.8 54.68 2.23 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.543 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.28 160.3 14.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.073 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 17.0 mt-10 -104.08 73.15 1.12 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.957 0.408 . . . . 10.0 109.929 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.431 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 36.4 mm -74.9 108.88 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.053 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.7 OUTLIER -91.62 98.03 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.073 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -86.46 113.52 22.47 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.481 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -85.45 92.27 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.4 m -96.07 164.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.309 0.576 . . . . 10.0 111.809 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -108.1 128.16 54.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.161 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.496 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -75.69 84.37 2.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.237 0.541 . . . . 10.0 111.307 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 40' ' ' MET . 14.9 t 169.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.068 -0.969 . . . . 10.0 109.806 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.21 144.39 28.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.547 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 146.72 53.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.662 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.25 -17.34 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 48.8 tptt -51.91 -51.0 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.785 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -65.42 -36.56 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.292 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD12 ' CE1' ' A' ' 36' ' ' PHE . 2.6 mm? -68.85 -39.13 80.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 10.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -46.21 78.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.691 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 11.7 pt-20 -66.94 -37.51 84.43 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.238 -0.185 . . . . 10.0 110.872 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 m -64.21 -37.33 87.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.893 0.378 . . . . 10.0 110.599 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.62 -42.9 98.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.974 0.416 . . . . 10.0 110.076 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.4 m -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.2 mt-30 -61.79 -40.28 94.66 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.767 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -64.97 -39.26 93.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -77.46 -15.13 59.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.148 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.89 30.43 38.86 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.642 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.29 155.43 81.51 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -71.99 163.81 37.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.396 2.064 . . . . 10.0 111.513 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -72.71 157.79 36.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 79.31 -15.34 0.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 10.0 111.562 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.2 -32.03 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.42 0.628 . . . . 10.0 110.066 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.24 146.26 35.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.964 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -116.03 126.75 54.21 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.315 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -90.67 121.9 32.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.915 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.8 mt -109.42 127.78 54.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.112 0.482 . . . . 10.0 110.827 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -135.23 113.97 11.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.771 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 63.79 14.11 8.0 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.453 0.471 . . . . 10.0 111.898 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.95 -16.34 43.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.228 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -97.44 159.21 15.06 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -98.32 133.41 42.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 10.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.38 118.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.398 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.87 173.21 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -81.62 -27.49 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.529 . . . . 10.0 110.358 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -99.08 22.57 10.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.657 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -76.22 140.71 41.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.934 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -115.71 140.96 26.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.208 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.3 -5.76 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.455 2.103 . . . . 10.0 112.792 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -89.77 -15.24 32.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 10.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.3 pt-20 -99.47 165.18 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.301 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 70.91 -66.76 0.28 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.409 0.684 . . . . 10.0 110.64 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.57 76.79 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.5 mtt -111.28 121.6 45.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -128.37 -173.47 2.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 10.0 111.123 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -69.78 137.91 52.29 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.271 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 65.22 23.12 12.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.881 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.79 154.62 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.96 126.43 61.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.4 tt -131.34 143.3 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.086 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -112.15 157.01 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.775 0.322 . . . . 10.0 111.293 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.32 129.88 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.295 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -137.36 170.75 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.435 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.67 139.77 30.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.7 168.45 19.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.015 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -64.29 -36.16 83.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 111.488 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.7 p -75.56 -27.68 58.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 10.0 111.184 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.575 -179.298 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 97.3 mtt180 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.618 0.247 . . . . 10.0 110.444 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.09 104.48 16.69 Favored Pre-proline 0 C--N 1.322 -0.628 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.328 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.623 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.7 Cg_exo -70.82 109.85 2.62 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.838 2.359 . . . . 10.0 112.314 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.87 126.26 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.9 t -125.22 128.13 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.268 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.141 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.164 -0.31 . . . . 10.0 110.164 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.3 mm -98.67 136.45 29.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.546 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -105.99 117.93 35.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.018 0.437 . . . . 10.0 111.078 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.22 125.12 46.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 17.4 mtpt -87.97 107.1 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.179 0.514 . . . . 10.0 110.857 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.28 121.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.784 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 mm -94.33 110.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.915 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.32 162.63 38.49 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.715 -0.755 . . . . 10.0 111.416 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.64 -9.9 58.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.014 0.435 . . . . 10.0 110.865 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.72 8.34 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.926 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 69.18 61.38 0.31 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.853 0.721 . . . . 10.0 110.658 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -118.13 164.78 14.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 24.3 mt-10 -132.65 74.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 27.1 mm -67.42 133.34 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.872 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.722 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.2 OUTLIER -106.28 80.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . 0.431 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -79.33 120.15 23.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.79 0.329 . . . . 10.0 110.466 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -93.26 105.11 17.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.51 159.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.341 0.591 . . . . 10.0 112.407 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -96.3 129.11 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.145 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.511 ' O ' ' HB ' ' A' ' 41' ' ' THR . 50.9 tpp -77.91 74.23 4.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.1 t 170.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.773 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -77.6 138.74 39.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.28 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -65.78 145.12 56.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 71' ' ' ILE . 70.3 mt -63.73 -8.62 10.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.391 . . . . 10.0 112.036 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 49.9 tptt -58.5 -44.23 89.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.52 -22.7 60.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.078 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 36' ' ' PHE . 3.3 mm? -82.46 -43.76 16.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.577 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -61.41 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.571 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.7 pt-20 -65.59 -39.8 92.0 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.707 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.73 -37.59 87.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.105 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.5 m -62.31 -43.2 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.78 -40.71 98.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.187 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.63 81.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 10.0 110.781 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -79.35 -10.47 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.82 33.66 29.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.031 -0.604 . . . . 10.0 112.737 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.32 157.96 76.3 Favored Pre-proline 0 C--N 1.323 -0.574 0 O-C-N 122.718 -0.283 . . . . 10.0 110.63 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.86 166.73 28.66 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.319 2.013 . . . . 10.0 110.774 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 10.8 ttt -76.37 157.97 31.87 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.655 -0.418 . . . . 10.0 110.542 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 59' ' ' MET . 8.4 m120 74.37 11.51 4.1 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.653 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -89.53 -38.05 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.88 134.62 52.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.876 -1.056 . . . . 10.0 110.208 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.9 ptt-85 -101.71 132.92 47.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.325 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 51.8 m-85 -91.85 112.74 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.772 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.74 114.25 28.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.201 0.524 . . . . 10.0 111.017 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -115.33 99.79 7.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.214 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 65.54 29.33 11.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.874 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.26 -27.55 17.99 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.793 -0.639 . . . . 10.0 112.274 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -85.72 128.32 34.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.639 0.257 . . . . 10.0 110.807 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 8.7 ptm180 -81.07 121.59 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 10.0 109.967 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG21 HD13 ' A' ' 44' ' ' LEU . 42.2 mm -65.05 127.98 26.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.584 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.95 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.02 -35.46 69.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.158 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.67 29.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.467 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -103.11 150.48 23.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.847 0.356 . . . . 10.0 110.63 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -126.09 150.25 68.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.142 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -66.77 -4.31 10.93 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.643 2.229 . . . . 10.0 112.793 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -80.62 -22.83 40.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.681 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' THR . 6.8 pt-20 -107.34 -178.53 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.267 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mt 73.18 -42.22 0.52 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.492 0.717 . . . . 10.0 111.546 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.93 34.97 1.18 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.012 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.8 mtt -75.67 127.81 33.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.719 0.295 . . . . 10.0 110.538 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.0 mm-40 -124.24 178.69 5.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.087 0.47 . . . . 10.0 111.31 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.93 136.42 50.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.257 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 65.88 31.77 9.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.025 0.44 . . . . 10.0 111.234 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.8 t0 -76.51 168.93 19.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.209 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.38 125.86 74.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 10.0 111.262 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -133.33 141.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.8 155.41 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.93 0.395 . . . . 10.0 111.482 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.85 125.23 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.333 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -134.65 163.19 30.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.425 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.73 138.67 31.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.699 -0.4 . . . . 10.0 110.365 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -77.15 159.64 29.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.577 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.0 -24.06 65.99 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.179 0.514 . . . . 10.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -20.57 62.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.875 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 121.233 -0.508 . . . . 10.0 112.607 179.711 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.8 mpt_? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.664 0.269 . . . . 10.0 110.795 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -147.29 105.6 3.81 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.087 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.722 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.2 Cg_endo -73.02 123.77 9.12 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.701 2.267 . . . . 10.0 112.809 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.93 126.69 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.15 132.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 110.426 -0.213 . . . . 10.0 110.426 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.52 117.61 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -101.7 114.32 28.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.108 0.48 . . . . 10.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -101.11 134.81 43.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.826 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -90.19 106.23 18.34 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.7 t -90.97 115.48 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.269 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -89.52 118.7 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 169.31 38.0 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.147 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -64.73 -25.36 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.815 0.34 . . . . 10.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.45 17.03 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.262 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m 67.43 32.37 5.83 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.424 0.453 . . . . 10.0 111.407 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 p -84.76 152.53 23.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.757 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.3 tt0 -115.61 72.74 0.81 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.069 0.461 . . . . 10.0 109.868 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 51.7 mm -72.34 133.42 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.854 0.359 . . . . 10.0 111.023 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 29.6 m170 -103.79 92.25 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 10.0 110.666 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.73 113.44 22.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -93.55 111.8 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 10.0 110.512 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.36 171.76 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -117.19 137.71 52.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.4 tpp -73.3 79.17 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.472 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.5 OUTLIER 173.38 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.571 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -79.98 136.41 36.61 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.117 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 143.02 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.042 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.27 -9.56 33.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.497 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 39.0 tptt -56.65 -52.25 65.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.113 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.7 -30.58 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.03 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.8 mm? -68.76 -45.57 71.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.108 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -62.1 -47.46 84.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.928 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.1 pt-20 -64.96 -42.35 94.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -65.61 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.613 0.244 . . . . 10.0 110.98 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.68 -38.54 77.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 10.0 110.016 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.7 m -60.27 -41.29 92.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.954 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.58 -37.01 86.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.531 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HG2' HD13 ' B' ' 362' ' ' ILE . 13.6 tpt180 -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -87.96 -4.97 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.12 35.08 61.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.209 -0.52 . . . . 10.0 112.954 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -131.66 158.29 75.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 122.853 -0.204 . . . . 10.0 110.499 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.21 167.46 26.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.184 1.922 . . . . 10.0 110.998 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 20.5 ttt -75.29 154.24 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.679 -0.409 . . . . 10.0 110.115 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 59' ' ' MET . 12.6 m120 76.85 4.36 3.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.364 0.666 . . . . 10.0 111.716 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 p -82.86 -41.52 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.357 0.599 . . . . 10.0 109.566 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.61 141.75 41.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.429 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.529 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.0 ptt180 -113.8 133.05 55.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.036 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 88' ' ' ILE . 95.9 m-85 -91.77 121.09 33.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.962 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -106.09 118.62 37.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.166 0.507 . . . . 10.0 110.447 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -126.44 119.58 27.58 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 64.65 20.31 12.1 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.582 0.552 . . . . 10.0 110.699 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.61 -14.83 64.4 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -96.52 155.69 16.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.746 0.308 . . . . 10.0 110.474 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -91.53 124.76 35.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.026 0.441 . . . . 10.0 109.912 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.11 120.01 9.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.748 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.92 166.68 20.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.261 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.8 -13.95 60.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.985 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -104.53 11.78 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -84.85 150.63 24.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 10.0 111.267 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 p -126.85 154.73 76.1 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.878 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.47 -15.75 51.03 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.269 1.979 . . . . 10.0 111.645 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.39 -37.56 71.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.7 pt-20 -91.03 174.36 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.4 mt 73.11 -47.79 0.67 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.144 0.578 . . . . 10.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.76 55.81 0.45 Allowed Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.505 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.0 mtt -85.25 128.56 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.1 mm-40 -127.48 -176.3 3.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.294 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -75.7 146.69 39.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.808 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 64.19 24.47 13.41 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.568 0.543 . . . . 10.0 110.527 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -75.72 168.01 20.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.521 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.84 128.71 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.115 0.483 . . . . 10.0 111.134 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.7 tt -133.66 129.94 55.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -95.91 150.05 20.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 10.0 111.37 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.64 126.31 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.207 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -135.57 162.94 31.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.168 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -81.09 140.32 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.005 0.431 . . . . 10.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.529 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.1 mm-40 -77.18 155.23 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.237 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.4 -32.78 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.81 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -25.35 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.829 0.347 . . . . 10.0 111.627 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.599 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.757 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.3 ptp180 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 121.065 0.459 . . . . 10.0 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -120.51 114.32 33.07 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 74.1 Cg_endo -79.66 121.83 4.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.686 2.257 . . . . 10.0 112.891 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 362' ' ' ILE . . . . . 0.406 HD13 ' HG2' ' A' ' 54' ' ' ARG . 21.4 mt -115.64 121.36 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.727 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 13.7 t -117.98 127.51 75.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.803 0.335 . . . . 10.0 110.848 -179.865 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.5 mm -81.56 128.79 38.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 4.6 ttpm? -108.07 122.95 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.057 0.456 . . . . 10.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.3 mt -103.92 143.0 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.773 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -102.5 109.99 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.828 0.347 . . . . 10.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -91.46 125.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -87.67 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.219 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.33 152.03 25.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.622 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.95 -31.49 72.7 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.992 0.425 . . . . 10.0 111.024 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.79 7.71 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.646 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 m 68.64 68.67 0.3 Allowed 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.516 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.27 152.85 51.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.852 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 60.4 tt0 -107.32 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 10.0 109.809 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.5 mm -79.02 117.17 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.7 m170 -95.15 80.4 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.903 0.382 . . . . 10.0 110.946 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.74 114.86 20.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -88.25 110.76 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.995 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.91 165.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.189 0.518 . . . . 10.0 111.347 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HG2' HG22 ' A' ' 41' ' ' THR . 82.8 tttt -113.45 122.18 46.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.191 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.557 ' O ' ' HB ' ' A' ' 41' ' ' THR . 62.2 tpp -72.56 81.81 1.1 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.978 0.418 . . . . 10.0 110.977 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.1 t 168.06 -28.08 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.458 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -91.11 138.76 31.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.214 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.58 149.12 50.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.523 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.65 -8.25 26.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.331 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 34.7 tptt -54.28 -51.61 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.417 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -69.58 -32.42 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.041 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.7 mm? -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.811 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.3 -46.77 88.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.562 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 5.7 pt-20 -70.37 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.26 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.2 m -63.27 -34.83 78.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 10.0 110.491 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -66.76 -36.18 81.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.2 m -65.18 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.9 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 84.4 mt-30 -69.32 -38.17 78.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.123 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -64.66 -39.02 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -80.22 -29.35 38.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.661 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.75 39.27 6.26 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.175 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -135.51 158.92 73.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.567 -0.16 . . . . 10.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.32 164.57 30.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 10.0 111.816 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.9 ttt -75.7 155.02 36.08 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.138 -0.225 . . . . 10.0 110.557 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 t30 75.36 3.85 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.402 0.681 . . . . 10.0 111.634 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 p -83.36 -28.21 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 10.0 109.697 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 mt -121.28 141.48 50.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.369 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 25.8 ptt-85 -106.14 131.87 52.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.059 0.457 . . . . 10.0 109.886 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -93.29 116.38 28.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.366 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.45 130.73 46.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.195 0.522 . . . . 10.0 111.481 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -146.31 121.99 10.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.91 . . . . 10.0 109.387 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.5 24.34 14.03 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.54 0.525 . . . . 10.0 111.009 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.9 -23.41 29.09 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 121.069 -0.586 . . . . 10.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -96.07 175.26 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.18 134.17 52.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.079 0.466 . . . . 10.0 110.49 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.0 mm -63.5 122.26 14.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.843 . . . . 10.0 111.536 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.83 163.18 21.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.23 -18.08 61.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.043 0.449 . . . . 10.0 110.554 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -102.95 19.9 18.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -93.53 148.96 21.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.143 0.497 . . . . 10.0 111.235 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.583 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.89 147.26 58.27 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.806 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.18 -9.6 17.89 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.751 2.3 . . . . 10.0 112.792 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -77.31 -23.74 50.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.7 pt-20 -104.35 177.42 4.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt 72.23 -52.13 0.7 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.873 0.733 . . . . 10.0 111.612 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.74 65.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.023 -0.608 . . . . 10.0 111.748 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.5 mtt -98.23 127.35 44.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.042 0.448 . . . . 10.0 110.919 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -125.35 175.46 7.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.7 tp10 -69.87 139.76 53.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.377 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 65.64 34.84 7.4 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.46 0.475 . . . . 10.0 110.932 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.13 153.68 25.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.587 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.46 127.06 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.086 0.469 . . . . 10.0 111.599 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 tt -132.42 140.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.396 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.93 155.98 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.964 0.411 . . . . 10.0 111.464 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.37 123.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.254 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.0 159.99 35.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.183 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.69 138.15 38.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 10.0 111.615 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.6 mm-40 -78.06 154.12 31.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.618 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -73.28 -14.62 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.051 0.453 . . . . 10.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.9 p -78.96 -32.84 45.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.793 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.2 ptp180 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.516 0.198 . . . . 10.0 110.739 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 360' ' ' ASP . . . . . 0.481 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 8.9 p-10 -137.32 121.25 11.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.866 0.365 . . . . 10.0 111.162 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.596 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.5 Cg_exo -77.24 114.01 3.68 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.88 2.387 . . . . 10.0 111.78 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.2 mt -99.58 119.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.142 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 24.9 t -117.87 126.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 17.2 pt . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 120.798 0.333 . . . . 10.0 111.124 -179.685 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.439 ' HB ' HG22 ' A' ' 38' ' ' VAL . 26.7 mm -122.86 111.47 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.2 ttpm? -91.58 105.04 17.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.084 0.469 . . . . 10.0 110.986 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.7 mt -93.23 128.76 39.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.083 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -92.56 104.07 16.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.84 0.352 . . . . 10.0 110.35 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.6 t -90.93 124.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -84.88 116.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -85.92 159.85 33.27 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.127 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.34 -28.5 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.932 0.345 . . . . 10.0 111.932 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -91.29 26.86 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m 62.16 40.54 11.66 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.291 0.567 . . . . 10.0 110.304 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' SER . . . . . 0.407 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.5 p -100.32 150.76 22.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 12.7 mt-10 -117.7 90.47 3.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.201 0.524 . . . . 10.0 109.89 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mm -81.63 104.37 10.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.402 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.642 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 28.0 m170 -87.84 77.79 8.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.381 0.61 . . . . 10.0 110.537 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.55 116.87 16.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HG22 ' B' ' 363' ' ' VAL . 11.4 ttmt -91.7 104.08 16.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 10.0 109.809 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 22' ' ' ILE . 6.4 m -90.53 163.61 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.482 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -105.46 127.6 53.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.121 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.542 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.7 tpp -76.07 84.4 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.707 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.0 t 170.05 -27.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.49 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.95 150.2 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.897 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -69.99 150.57 46.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.53 -8.15 24.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.29 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 53.5 tptt -57.61 -47.98 80.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 10.0 110.233 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -67.46 -26.27 66.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.0 mm? -80.03 -43.84 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.5 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.465 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.4 pt-20 -66.81 -42.87 85.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.703 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 50.9 m -62.06 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.591 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -63.51 -43.71 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 56.4 m -63.66 -41.68 98.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.382 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 96.5 mt-30 -62.33 -34.68 77.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.406 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -73.44 -36.35 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.211 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.47 -40.18 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.625 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.43 9.94 24.48 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.16 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.13 158.48 57.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.89 166.55 24.18 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.401 2.067 . . . . 10.0 112.123 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 8.5 ttt -73.31 161.57 30.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.694 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 t30 80.1 -28.86 0.14 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.906 0.882 . . . . 10.0 111.678 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -31.72 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.458 . . . . 10.0 110.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.54 129.61 55.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.756 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 14.8 ptt-85 -103.61 127.37 51.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.788 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HB3' HD11 ' A' ' 88' ' ' ILE . 79.8 m-85 -93.85 114.22 26.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.681 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.43 122.94 42.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.229 0.537 . . . . 10.0 111.073 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -128.66 111.24 12.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.355 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 61.51 30.47 18.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.362 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.9 -34.7 4.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.888 -0.673 . . . . 10.0 112.535 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.25 159.73 21.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.614 0.245 . . . . 10.0 110.42 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -102.15 130.21 48.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.861 0.362 . . . . 10.0 110.057 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.0 mm -65.15 123.02 17.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.386 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.48 178.85 8.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.11 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 18.6 m-20 -80.36 -30.32 37.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.012 0.434 . . . . 10.0 110.678 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.55 28.66 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.431 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.81 135.94 33.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.012 0.434 . . . . 10.0 110.495 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -111.37 141.75 25.07 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.321 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.02 -13.38 27.25 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.665 2.243 . . . . 10.0 112.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.69 -34.83 65.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -90.07 -179.81 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.463 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.8 mt 72.21 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.702 0.626 . . . . 10.0 111.063 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.78 48.25 0.12 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 121.026 -0.607 . . . . 10.0 112.089 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.0 mtt -82.64 137.15 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.729 0.3 . . . . 10.0 110.637 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.0 mm-40 -138.04 -170.82 2.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.391 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.62 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 6.0 tp10 -78.38 148.67 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 61.77 27.44 16.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.036 0.446 . . . . 10.0 110.512 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t0 -74.28 157.36 35.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.514 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.9 t -120.42 127.94 75.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 10.0 111.258 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.7 tt -134.25 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.184 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 152.43 21.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 10.0 111.398 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.28 123.34 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.216 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.45 163.15 27.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -93.74 138.32 32.05 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.757 -0.377 . . . . 10.0 110.713 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.507 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.9 mm-40 -72.22 171.78 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.455 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -80.39 -21.37 42.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 10.0 111.084 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.4 p -72.25 -37.12 69.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 10.0 110.765 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 -178.945 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 1.8 ptp180 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.816 0.341 . . . . 10.0 111.638 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 360' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 3.0 p-10 -139.23 137.14 18.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.721 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.642 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 96.6 Cg_endo -88.58 145.2 5.74 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.039 2.493 . . . . 10.0 113.497 -179.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.6 131.38 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.226 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 363' ' ' VAL . . . . . 0.403 HG22 ' HB3' ' A' ' 37' ' ' LYS . 55.7 t -123.65 120.48 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 4.8 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 10.0 111.573 -179.409 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.7 mm -111.65 123.36 67.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HZ3' ' HB3' ' A' ' 23' ' ' LYS . 4.4 ttpm? -108.71 117.4 34.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.921 0.391 . . . . 10.0 111.073 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.55 144.0 31.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.062 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE3' ' OE2' ' A' ' 33' ' ' GLU . 38.9 mtpt -107.96 114.89 29.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 110.931 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.6 t -97.38 123.56 49.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.379 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.67 114.55 29.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.915 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.84 167.58 40.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.161 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.307 0.575 . . . . 10.0 110.52 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -91.5 10.92 25.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.905 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 66.69 31.55 7.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.368 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 p -88.33 160.09 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.125 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.522 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 8.9 tt0 -122.14 82.81 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.488 . . . . 10.0 109.834 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 14.4 mm -67.75 120.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.615 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.592 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 21.4 m170 -100.02 88.37 3.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.382 0.61 . . . . 10.0 110.643 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -86.65 118.36 26.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.411 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -95.71 111.25 23.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 10.0 109.938 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -113.41 173.67 2.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.142 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -115.88 142.23 47.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.607 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.523 ' O ' ' HB ' ' A' ' 41' ' ' THR . 53.4 tpp -77.59 79.99 4.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 10.0 110.569 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 40' ' ' MET . 4.8 t 172.15 -20.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.139 -0.937 . . . . 10.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.45 128.94 35.01 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 143.8 57.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.042 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.65 -20.52 63.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.0 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 50.6 tptt -57.03 -42.07 79.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.887 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -69.18 -35.36 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.661 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.26 -39.32 68.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.665 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.41 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.181 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.47 -37.07 77.14 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.927 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -66.01 -36.92 84.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 10.0 110.714 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.88 -36.64 83.97 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.86 -39.52 94.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.246 0.546 . . . . 10.0 109.743 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.05 -32.83 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.092 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.41 -39.82 89.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.455 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.62 -34.73 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.05 36.46 4.44 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.789 -0.72 . . . . 10.0 112.424 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.91 156.2 74.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.24 162.24 39.44 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.391 2.061 . . . . 10.0 111.618 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ttt -72.81 157.36 37.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.66 -0.246 . . . . 10.0 110.967 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 80.22 -14.7 0.82 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.18 0.992 . . . . 10.0 111.6 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -71.51 -30.52 66.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.286 0.565 . . . . 10.0 109.897 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.7 mt -116.58 129.88 56.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 9.9 ptt180 -104.01 129.97 51.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.071 0.462 . . . . 10.0 110.261 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 91.0 m-85 -88.91 127.82 35.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.885 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.2 124.87 53.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.288 0.566 . . . . 10.0 111.173 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' HB3' HD11 ' A' ' 71' ' ' ILE . 73.1 t80 -142.81 132.57 23.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.948 -1.024 . . . . 10.0 108.367 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 64.54 18.0 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.298 0.57 . . . . 10.0 110.209 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.73 3.62 90.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.111 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -116.37 160.78 20.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 10.8 ptm180 -90.61 128.68 36.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.447 . . . . 10.0 110.292 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 66' ' ' PHE . 40.7 mm -65.89 119.83 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.138 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.47 165.57 23.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.442 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 13.2 m-20 -73.19 -21.84 60.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.164 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -96.07 3.24 53.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -76.32 144.18 40.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.45 . . . . 10.0 111.122 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.574 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -121.4 149.81 53.05 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.241 179.401 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.46 -14.1 40.26 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 122.671 2.247 . . . . 10.0 112.981 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.66 -29.87 65.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.523 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.4 pt-20 -100.96 -177.04 3.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt 73.12 -42.52 0.53 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.435 0.694 . . . . 10.0 111.625 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.01 46.12 0.84 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.376 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.7 mtt -80.96 123.68 28.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.826 0.346 . . . . 10.0 110.544 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 19.6 mt-10 -114.9 -177.63 3.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.074 0.464 . . . . 10.0 110.988 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -78.05 140.26 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 66.95 26.0 9.24 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.476 0.485 . . . . 10.0 110.404 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.5 t0 -73.64 162.12 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.743 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -114.27 123.75 70.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.066 0.46 . . . . 10.0 111.266 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.61 138.21 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.464 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.12 156.95 17.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 10.0 111.036 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.23 124.1 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.918 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.2 162.59 32.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -77.45 136.11 38.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.513 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 2.3 mm-40 -74.24 159.53 32.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.862 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.159 0.504 . . . . 10.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 p -71.37 -60.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.525 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.755 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mtt180 . . . . . 0 C--O 1.23 0.074 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -106.24 124.5 35.62 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.957 0.408 . . . . 10.0 110.994 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.592 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.2 Cg_endo -79.59 111.37 2.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.116 2.544 . . . . 10.0 112.741 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 33.0 mt -102.56 119.41 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.71 112.65 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.975 0.417 . . . . 10.0 111.182 -179.663 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.1 mm -113.92 125.54 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -107.68 123.8 49.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.923 0.392 . . . . 10.0 110.57 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.8 mt -106.3 149.89 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.61 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -97.14 97.47 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.539 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.5 t -89.01 111.98 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 10.0 110.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mm -89.72 116.01 30.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.458 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.45 166.95 28.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.718 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.02 -21.38 66.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.167 0.508 . . . . 10.0 110.88 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -84.38 12.3 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.85 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.3 m 58.95 61.48 2.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.508 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -133.81 153.32 51.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.222 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 32.7 tt0 -109.45 89.3 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.9 mm -74.9 119.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.746 -0.465 . . . . 10.0 109.746 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 16.5 m170 -95.14 71.56 3.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.67 -179.029 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.72 119.56 21.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.354 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -91.82 113.08 25.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.39 158.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.578 . . . . 10.0 111.708 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -101.66 122.87 44.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.596 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' HB ' ' A' ' 41' ' ' THR . 56.4 tpp -74.03 89.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 10.0 111.104 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.612 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 167.67 -26.77 0.0 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.674 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 148.94 23.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -68.39 154.61 41.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.13 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 75' ' ' HIS . 61.6 mt -65.48 -12.39 52.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.241 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 35.4 tptt -53.92 -49.13 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.52 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.29 -31.38 71.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.313 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.4 mm? -75.4 -40.62 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 10.0 110.832 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.14 -44.31 92.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.701 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.2 pt-20 -66.94 -38.61 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.779 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -65.38 -34.5 78.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 10.0 110.741 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 64.5 t80 -62.79 -43.44 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.7 m -63.02 -42.89 99.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 97.1 mt-30 -61.31 -44.37 97.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.778 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -64.5 -43.17 94.95 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.5 mm100 -67.95 -37.42 81.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.798 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.51 6.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.03 -0.605 . . . . 10.0 111.822 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -126.58 157.34 71.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.69 156.72 60.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.243 1.962 . . . . 10.0 111.503 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.09 149.93 49.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.135 -0.226 . . . . 10.0 110.616 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 79.73 0.07 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.993 0.808 . . . . 10.0 112.241 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.1 p -82.19 -25.85 33.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.246 0.546 . . . . 10.0 110.023 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.8 mt -119.07 143.77 46.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.287 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.51 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.7 ptt-85 -116.09 136.95 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.933 0.397 . . . . 10.0 110.301 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' HD11 ' A' ' 88' ' ' ILE . 82.2 m-85 -94.31 125.26 38.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.874 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -109.38 117.44 34.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.036 0.446 . . . . 10.0 111.072 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 71' ' ' ILE . 66.9 t80 -127.64 122.62 33.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.475 -0.784 . . . . 10.0 108.943 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 65.14 17.77 11.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.0 110.278 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.47 -0.16 80.29 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.935 -0.65 . . . . 10.0 112.298 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -108.07 160.94 15.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -95.05 122.9 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 10.0 110.717 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 66' ' ' PHE . 43.1 mm -64.69 126.07 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.967 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.8 -176.05 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.386 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 4.3 m-20 -94.89 -12.68 26.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.899 0.38 . . . . 10.0 110.9 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -104.97 16.41 25.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -82.18 143.22 31.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.193 0.52 . . . . 10.0 111.307 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -119.3 143.99 35.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.021 178.807 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.68 -6.78 11.29 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.469 2.113 . . . . 10.0 112.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.81 -30.41 45.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 10.0 110.721 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.6 pt-20 -96.18 179.26 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 15.2 mt 73.39 -41.47 0.5 Allowed 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.627 0.579 . . . . 10.0 111.598 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.53 48.86 0.89 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.063 -0.589 . . . . 10.0 111.883 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.9 mtt -89.06 123.76 33.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 10.0 111.15 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 36.7 mt-10 -122.0 -175.74 3.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.254 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 21.4 tp10 -71.73 138.65 48.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.227 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 9.4 mm-40 69.93 24.49 5.17 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.569 0.543 . . . . 10.0 111.385 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -78.42 148.57 33.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.3 t -99.26 131.75 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 64' ' ' PHE . 20.9 tt -141.5 141.65 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.6 154.67 27.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.766 0.317 . . . . 10.0 111.29 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.029 0.442 . . . . 10.0 110.98 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -133.65 167.91 19.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.432 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.69 139.78 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 10.0 111.359 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.3 mm-40 -79.69 155.08 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.271 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -66.98 -31.73 72.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 10.0 111.295 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -70.22 -23.49 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.377 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.823 -179.053 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 359' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 5.2 ptp180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.634 0.254 . . . . 10.0 111.116 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -128.2 112.62 19.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.187 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 361' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.5 Cg_endo -78.64 132.4 10.92 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.812 2.342 . . . . 10.0 113.346 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 10.4 mt -129.11 125.05 61.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.638 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.2 t -127.44 108.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.039 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 14.6 pt . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 10.0 111.602 -179.141 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.4 mm -122.94 117.18 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HB2' ' HZ2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -90.36 110.89 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.859 0.362 . . . . 10.0 110.586 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.31 118.75 32.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -85.35 104.37 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.2 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 1.8 t -91.14 127.05 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.176 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 mm -83.66 106.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.51 155.06 46.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.995 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.42 -31.81 73.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 10.0 111.089 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -89.46 16.32 7.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.2 m 64.56 66.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.428 ' HA ' ' OD1' ' B' ' 358' ' ' ASN . 0.0 OUTLIER -120.1 140.92 50.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.798 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.727 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 14.7 mt-10 -94.22 76.46 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 10.0 110.331 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG21 ' HE1' ' A' ' 51' ' ' TYR . 28.6 mm -73.24 114.45 12.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.512 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.606 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.4 OUTLIER -99.93 93.82 5.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.804 -179.442 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.64 118.29 25.06 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.865 -0.334 . . . . 10.0 110.724 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -89.33 99.16 12.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 10.0 109.947 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.99 162.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.634 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.68 131.76 54.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.112 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.461 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.2 tpp -75.72 79.79 2.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 10.0 111.266 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 40' ' ' MET . 10.3 t 171.87 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.843 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 m -86.15 141.23 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.76 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -67.4 145.29 55.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.923 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.43 -12.55 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.779 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 51.5 tptt -57.09 -47.82 80.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.905 0.384 . . . . 10.0 110.404 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 46' ' ' LYS . 29.9 tptt -69.07 -26.68 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.081 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.4 mm? -77.96 -41.89 34.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.552 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -61.06 -46.49 90.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.464 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.1 pt-20 -67.38 -42.84 82.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.335 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -59.58 -36.15 75.69 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.685 0.279 . . . . 10.0 111.241 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HE1' HG21 ' A' ' 34' ' ' ILE . 66.0 t80 -64.26 -44.8 90.63 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.03 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.534 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.4 mt-30 -61.98 -34.04 75.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.524 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -72.62 -39.9 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 10.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -78.55 -12.24 60.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 10.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.29 32.93 30.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.131 -0.557 . . . . 10.0 112.969 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.88 147.23 58.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 156.14 60.64 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.145 1.896 . . . . 10.0 111.076 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.53 154.6 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 81.88 -0.49 1.52 Allowed 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.96 0.788 . . . . 10.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.7 p -86.83 -32.98 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.114 0.483 . . . . 10.0 110.026 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 92' ' ' GLN . 78.1 mt -118.45 139.0 52.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.487 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.4 ptt-85 -107.55 130.0 54.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.28 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.443 ' HB3' HD11 ' A' ' 88' ' ' ILE . 87.8 m-85 -92.07 120.68 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.742 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -106.05 134.38 49.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.161 0.505 . . . . 10.0 111.251 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -140.59 111.36 6.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.739 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 66.43 28.13 9.69 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.644 0.59 . . . . 10.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.73 -33.38 5.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -83.87 162.95 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.623 0.249 . . . . 10.0 110.353 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -105.48 132.48 51.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.037 0.446 . . . . 10.0 110.6 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -64.79 125.88 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.569 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.67 173.01 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 11.6 m-20 -78.87 -10.57 59.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 10.0 111.464 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -107.91 17.06 22.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.26 146.24 23.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.289 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.539 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -125.58 147.49 58.39 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.108 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.04 -9.27 14.06 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.503 2.136 . . . . 10.0 113.042 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -73.4 -35.36 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.2 pt-20 -93.04 179.34 5.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.633 -0.258 . . . . 10.0 110.641 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 13.1 mt 72.41 -44.53 0.6 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.475 0.71 . . . . 10.0 111.486 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.21 39.99 0.84 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.413 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.9 mtt -73.04 137.68 45.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 10.0 110.643 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -133.42 178.76 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.033 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.97 138.16 57.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.611 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 59.3 39.24 22.69 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.584 0.553 . . . . 10.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t0 -78.09 163.35 25.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.997 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.05 128.02 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 10.0 111.324 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.4 tt -134.17 138.88 49.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.498 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.84 156.74 17.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.513 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.85 123.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.865 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.7 155.23 46.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.932 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.5 tt0 -78.08 140.87 39.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.893 0.378 . . . . 10.0 110.856 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -76.12 157.63 32.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.406 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.1 -26.01 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.114 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -78.33 -34.03 48.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.148 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.58 -2.45 80.44 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.795 -0.717 . . . . 10.0 111.596 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.242 0 CA-C-O 118.911 -0.938 . . . . 10.0 111.147 -179.784 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.596 ' N ' HD21 ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 358' ' ' ASN . . . . . 0.556 ' OD1' ' HG3' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -151.59 41.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.433 0.635 . . . . 10.0 109.962 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.727 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 4.5 ptp180 -95.3 130.04 42.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.177 -0.92 . . . . 10.0 111.018 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -132.0 115.78 15.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.794 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 61.1 Cg_endo -77.09 128.63 9.99 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.627 2.218 . . . . 10.0 112.647 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 9.8 mt -112.69 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 23.5 t -118.32 120.49 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.769 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp -107.05 177.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.879 0.371 . . . . 10.0 110.681 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.75 127.26 55.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.771 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -81.22 111.49 17.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.109 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.69 135.26 12.1 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.181 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo . . . . . 0 C--O 1.252 1.21 0 C-N-CA 122.58 2.186 . . . . 10.0 111.971 179.553 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.3 mm -110.1 136.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 128.8 56.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 10.0 110.943 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.21 145.15 37.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.094 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 48.7 mtpt -95.39 107.35 19.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.755 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.68 119.99 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.747 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.54 112.39 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.935 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.91 174.82 37.86 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.913 -0.661 . . . . 10.0 111.686 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -66.82 -24.51 66.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.964 0.412 . . . . 10.0 110.971 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.29 9.35 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.836 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 50.52 3.7 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.452 0.644 . . . . 10.0 110.706 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -97.41 167.05 11.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.448 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 33.9 mt-10 -128.95 60.0 1.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 30.3 mm -55.3 137.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.791 -178.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.632 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.1 OUTLIER -104.27 84.88 2.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.258 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -83.18 116.36 22.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.778 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -89.17 106.24 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -95.56 153.26 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.581 0.705 . . . . 10.0 111.998 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -89.6 110.68 21.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.192 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 2.2 tpt -73.88 73.91 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.201 0.524 . . . . 10.0 111.347 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.5 t 174.41 -18.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.981 -1.009 . . . . 10.0 109.904 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -104.82 151.01 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.623 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -69.44 155.43 40.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.914 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -72.9 -1.52 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.264 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 46.3 tptt -56.52 -55.66 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.602 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 33.3 tptt -66.85 -35.1 79.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.634 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.38 -42.86 96.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.683 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.94 -52.41 63.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.024 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' OE1' ' HE3' ' A' ' 45' ' ' LYS . 7.3 pt-20 -67.38 -35.29 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.984 0.364 . . . . 10.0 111.984 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.5 m -62.61 -39.59 94.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 10.0 110.63 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.47 -37.15 84.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.796 0.332 . . . . 10.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.06 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -64.53 -34.68 78.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -27.22 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.569 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -91.52 -11.11 38.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.54 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.23 11.61 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.231 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -141.42 153.85 66.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.3 173.66 11.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.269 1.98 . . . . 10.0 111.507 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 7.6 ttt -78.57 154.53 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.246 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 59' ' ' MET . 4.0 m120 77.51 4.88 3.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.949 0.781 . . . . 10.0 111.685 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.0 p -85.92 -41.01 15.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.465 0.65 . . . . 10.0 109.552 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.2 mt -110.16 134.72 51.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.542 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -103.96 132.78 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.361 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 88' ' ' ILE . 58.8 m-85 -92.62 126.0 37.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.893 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.97 125.87 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.21 0.529 . . . . 10.0 111.503 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -132.62 120.83 22.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.02 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.65 23.19 13.8 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.501 0.5 . . . . 10.0 111.035 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.54 -21.12 42.66 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -92.78 164.41 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -99.37 142.61 30.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.03 0.443 . . . . 10.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.86 124.57 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.001 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 167.56 15.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.56 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.4 m-20 -73.53 -16.67 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.957 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -102.94 13.05 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.305 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -84.75 145.13 28.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.205 0.526 . . . . 10.0 111.492 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -122.55 144.8 43.19 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.519 179.359 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.89 -10.06 21.3 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.429 2.086 . . . . 10.0 112.388 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.59 -28.84 56.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.694 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' HG3' ' HG ' ' A' ' 80' ' ' LEU . 5.9 pt-20 -104.24 -172.21 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 74.1 mt 71.45 -57.06 0.62 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.196 0.598 . . . . 10.0 110.817 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.54 0.18 Allowed Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.7 mtt -92.25 129.95 38.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.049 0.452 . . . . 10.0 110.521 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.8 mt-10 -128.35 -178.71 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.95 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -68.85 139.35 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 27.0 mm-40 64.88 27.97 12.77 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.758 0.661 . . . . 10.0 111.334 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -72.08 156.38 39.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.557 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.62 121.61 58.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.111 0.481 . . . . 10.0 111.69 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.418 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.6 tt -132.48 133.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.349 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -105.63 154.39 20.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.949 0.404 . . . . 10.0 111.475 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.6 p -130.29 124.39 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.41 156.07 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.227 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -84.42 138.19 32.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.6 mm-40 -76.54 150.62 36.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.16 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -29.13 70.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.305 0.574 . . . . 10.0 109.901 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -17.8 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.53 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.49 -55.94 5.01 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.265 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.85 0 CA-C-O 119.057 -0.857 . . . . 10.0 111.23 179.69 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.611 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.656 0.265 . . . . 10.0 110.301 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -164.83 31.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.106 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.448 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 50.7 mtp180 -120.43 103.63 9.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.711 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.9 134.21 23.61 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.632 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -78.86 133.65 11.43 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.702 2.268 . . . . 10.0 113.442 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.65 131.23 67.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.185 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.99 137.67 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 7.6 pt -129.12 171.37 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.341 . . . . 10.0 110.953 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 47.3 m -108.88 152.79 24.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.87 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.63 152.65 42.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.198 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 7.5 m -148.76 93.42 4.25 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.279 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo . . . . . 0 C--O 1.249 1.03 0 C-N-CA 123.217 2.611 . . . . 10.0 111.823 179.425 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.22 124.62 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 2.6 ttpm? -99.5 110.22 22.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.946 0.403 . . . . 10.0 110.999 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.55 131.77 44.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.994 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -90.16 105.05 17.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 3.0 t -86.07 114.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.648 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 32' ' ' SER . 26.1 mm -95.66 111.97 27.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.21 38.35 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.436 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.2 -27.17 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.979 0.419 . . . . 10.0 111.227 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.32 15.32 5.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.9 m 63.66 49.72 2.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.375 0.607 . . . . 10.0 110.973 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -98.58 158.47 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.071 179.447 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 11.4 tt0 -129.32 70.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 10.0 109.824 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 25.7 mm -71.95 131.5 34.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.516 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 46.2 m170 -96.97 95.82 8.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.357 0.599 . . . . 10.0 110.654 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 116.59 23.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.394 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -94.14 98.22 10.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -97.25 161.34 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.519 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -108.62 139.05 43.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.312 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.58 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.6 tpp -81.13 76.2 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.257 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.0 OUTLIER 170.73 -27.65 0.0 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.712 178.797 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.12 142.77 27.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.801 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.56 143.6 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.07 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.94 -11.42 38.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.7 tptt -58.02 -48.11 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.326 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -67.45 -29.01 68.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.677 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.2 -44.77 59.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.027 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.13 -48.68 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.679 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.631 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -63.02 -40.05 96.58 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.79 0.329 . . . . 10.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -63.77 -38.6 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 57.6 m -63.18 -46.86 85.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.146 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 78.4 mt-30 -59.66 -42.01 91.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.421 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.28 -41.11 98.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -81.91 -7.75 59.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.822 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.78 30.39 56.13 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.853 -0.689 . . . . 10.0 112.987 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 6.2 m -128.53 147.57 64.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.356 -0.238 . . . . 10.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.36 156.99 56.93 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.322 2.014 . . . . 10.0 111.317 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 9.0 ttt -69.51 153.83 42.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.78 -0.368 . . . . 10.0 110.397 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' MET . 3.6 m-20 77.1 8.08 2.93 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.812 0.695 . . . . 10.0 111.625 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.4 p -91.87 -26.94 18.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.486 0.66 . . . . 10.0 109.429 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -119.6 133.66 55.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.938 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.4 ptt-85 -104.35 129.02 52.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.018 0.437 . . . . 10.0 110.308 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.456 ' HB3' HD11 ' A' ' 88' ' ' ILE . 75.4 m-85 -92.43 120.63 33.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.51 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.7 mt -108.16 126.45 52.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.665 0.745 . . . . 10.0 111.754 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -130.16 115.28 16.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.827 -1.078 . . . . 10.0 108.902 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 63.34 29.62 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.746 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.58 -17.22 53.7 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 115.943 -0.572 . . . . 10.0 112.818 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -95.47 164.43 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.823 -0.222 . . . . 10.0 110.414 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -104.39 134.45 47.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 10.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.71 123.07 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.798 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.59 167.5 16.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.076 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.8 m-20 -79.23 7.18 8.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.273 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -130.22 16.94 5.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.747 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -91.32 160.48 15.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.273 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.531 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -139.46 153.83 71.03 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.945 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.55 -10.02 26.36 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.55 2.166 . . . . 10.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -77.41 -23.44 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.153 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -104.93 175.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.441 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt 70.8 -62.2 0.45 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.944 0.778 . . . . 10.0 111.228 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.82 64.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.15 -0.548 . . . . 10.0 112.137 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 36.4 mtt -94.45 131.12 40.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.742 0.306 . . . . 10.0 110.59 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.2 mm-40 -129.67 175.68 8.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 23.8 tp10 -72.45 136.87 46.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 23.9 mm-40 75.29 25.35 1.3 Allowed 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.01 0.819 . . . . 10.0 110.896 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -76.61 164.11 26.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.777 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.87 122.96 66.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.576 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 12.7 tt -130.71 121.89 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -95.38 154.35 17.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.87 0.367 . . . . 10.0 111.072 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.58 127.94 53.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.125 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -128.51 166.1 19.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.671 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -84.09 134.18 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.092 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.524 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -77.3 154.73 32.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.776 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.02 -27.65 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.64 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 p -67.73 -44.5 77.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.81 -0.21 57.74 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.718 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.809 0 CA-C-O 118.745 -1.03 . . . . 10.0 111.959 179.819 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.632 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -145.15 28.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.146 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 85.3 mtt180 -104.23 83.67 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.45 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -92.89 122.92 62.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -84.7 106.74 1.09 Allowed 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.86 2.373 . . . . 10.0 112.257 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.0 mt -101.86 120.02 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 10.0 111.821 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.2 137.92 52.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 3.2 pt -111.18 177.51 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.081 0.467 . . . . 10.0 111.892 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 48.9 m -107.7 123.72 48.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.397 -0.82 . . . . 10.0 110.425 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -105.06 125.19 50.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.418 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 9.0 m -148.79 91.17 4.68 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.651 -0.249 . . . . 10.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo . . . . . 0 C--O 1.245 0.854 0 C-N-CA 122.961 2.44 . . . . 10.0 111.79 179.347 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -105.19 140.91 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.77 103.1 11.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.144 0.497 . . . . 10.0 110.555 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -88.03 158.45 18.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.979 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -109.97 99.86 8.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -91.26 113.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mm -92.2 109.48 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.624 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.38 169.12 54.26 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.056 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.65 -26.14 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.039 0.447 . . . . 10.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -85.78 13.59 7.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.899 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m 62.86 52.61 2.64 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.635 -0.711 . . . . 10.0 112.507 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.01 154.76 22.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.494 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 8.7 tt0 -115.24 84.2 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.312 0.577 . . . . 10.0 110.003 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 43.8 mm -77.49 118.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.119 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 41.1 m170 -96.42 76.83 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.427 0.632 . . . . 10.0 110.111 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.56 117.46 15.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.589 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.79 102.02 11.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -96.44 163.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.755 . . . . 10.0 111.418 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -112.39 128.98 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.474 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -78.43 77.16 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.195 0.521 . . . . 10.0 110.729 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 174.81 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.496 179.389 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -90.87 148.58 22.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.261 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.585 ' HA ' HG23 ' A' ' 76' ' ' THR . 48.2 m80 -68.98 154.28 42.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.273 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.87 -13.32 62.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 49.2 tptt -56.11 -47.18 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.177 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 46' ' ' LYS . 23.2 tptt -67.07 -25.72 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.216 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.2 mm? -81.2 -43.24 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 10.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.01 -42.92 99.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.353 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.4 pt-20 -67.06 -44.94 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.772 -0.195 . . . . 10.0 111.096 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.4 m -61.67 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.391 . . . . 10.0 111.124 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.42 -46.02 74.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.517 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.86 -41.58 98.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.421 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 94.1 mt-30 -63.94 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -72.8 -43.47 62.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.584 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.45 -31.54 71.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.12 28.34 7.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 10.0 112.3 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -132.02 150.48 76.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.15 164.95 20.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.491 2.127 . . . . 10.0 111.158 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.7 ttt -73.73 158.69 34.17 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.582 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 77.73 4.14 2.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 10.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.9 p -84.73 -35.47 22.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.337 0.589 . . . . 10.0 110.026 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.16 141.84 45.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.066 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.9 ptt-85 -107.38 125.69 51.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.522 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 88' ' ' ILE . 71.8 m-85 -90.05 116.48 28.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.581 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.79 132.36 51.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.073 0.463 . . . . 10.0 110.967 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -139.32 117.36 11.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.59 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 63.36 25.18 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.49 -43.72 1.64 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.48 177.45 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -112.83 141.97 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 10.0 110.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -73.36 124.51 30.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.347 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -78.94 160.62 27.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.869 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.7 m-20 -67.33 -38.24 84.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.599 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -85.2 6.9 23.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -72.77 154.72 40.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.187 0.517 . . . . 10.0 110.99 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -133.45 146.23 59.79 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.604 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' HD2' HG22 ' A' ' 76' ' ' THR . 32.1 Cg_exo -62.51 -8.78 13.71 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.365 2.043 . . . . 10.0 112.573 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -69.01 -30.46 68.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.346 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 7.2 pt-20 -108.73 176.33 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 77.1 mt 73.76 -23.53 0.22 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.229 0.612 . . . . 10.0 111.414 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.89 40.55 6.2 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.893 -0.67 . . . . 10.0 113.084 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 mtt -75.17 116.12 15.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 52.1 mt-10 -115.0 -176.92 3.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 10.0 111.756 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.24 140.28 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.798 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 64.77 29.92 12.52 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.422 0.451 . . . . 10.0 110.949 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -81.56 148.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.652 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.81 122.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.048 0.452 . . . . 10.0 112.056 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' A' ' 64' ' ' PHE . 14.0 tt -129.74 135.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.29 157.12 17.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.058 0.456 . . . . 10.0 111.606 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.26 123.75 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.945 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -136.48 159.15 42.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.347 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.65 140.14 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 10.0 111.077 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -79.39 163.05 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -69.26 -24.27 63.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.493 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.66 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.252 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.87 -42.67 2.15 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.274 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.608 -1.107 . . . . 10.0 111.862 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 121.026 0.441 . . . . 10.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -130.58 6.27 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 10.0 110.662 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -99.93 142.27 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.673 -179.171 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -137.68 93.89 12.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.327 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 6.8 Cg_exo -76.09 131.85 13.46 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.275 2.65 . . . . 10.0 112.656 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.0 139.03 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.1 t -111.4 130.92 64.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.252 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt -92.68 -176.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.601 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 1.4 m -118.07 109.46 16.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.777 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -80.08 129.07 34.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 142.26 29.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.71 0.291 . . . . 10.0 111.625 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--O 1.252 1.207 0 C-N-CA 122.653 2.235 . . . . 10.0 111.605 178.723 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 18.6 m-85 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.2 mm -97.81 125.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 5.3 ttpm? -104.33 117.38 34.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.96 0.41 . . . . 10.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.29 138.89 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.688 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 21.4 mtpt -94.93 106.0 17.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.714 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.3 t -95.42 122.5 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.72 112.72 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.646 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.61 159.97 37.16 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.501 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -68.87 -14.48 63.06 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.224 0.535 . . . . 10.0 110.628 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -95.77 9.27 41.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.75 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 m 66.64 51.51 1.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.818 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -118.46 142.11 47.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.013 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 6.1 mt-10 -88.74 85.96 6.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.7 mm -81.6 104.93 10.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 23.9 m170 -91.15 85.12 5.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.271 0.558 . . . . 10.0 110.431 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.61 116.41 21.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.964 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.24 115.84 27.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 7.7 m -105.34 161.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 10.0 112.048 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.06 117.46 34.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.768 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.0 tpp -72.82 79.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.076 0.465 . . . . 10.0 111.161 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 175.43 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.372 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -94.11 146.76 23.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.895 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.57 154.45 38.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.121 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.27 -4.73 27.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.061 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 36.7 tptt -57.96 -53.92 52.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.196 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -64.16 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.723 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.1 mm? -66.21 -41.93 89.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.94 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.09 -45.69 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.817 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.08 -35.09 73.95 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.941 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.8 m -64.77 -37.1 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 10.0 110.413 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.046 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -59.93 -45.41 92.67 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.991 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.55 -37.93 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.781 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -64.35 -34.45 78.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -87.29 -12.04 47.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.838 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.97 27.15 51.2 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.176 -0.535 . . . . 10.0 112.602 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.86 155.76 72.41 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.52 166.72 27.61 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.007 1.804 . . . . 10.0 111.793 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.0 ttt -75.96 156.65 33.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.758 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.7 t30 74.76 4.0 4.29 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.919 0.762 . . . . 10.0 111.693 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -90.79 -17.43 26.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.266 0.555 . . . . 10.0 109.907 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.9 ptt-85 -103.03 127.83 50.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.177 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HB3' HD11 ' A' ' 88' ' ' ILE . 91.8 m-85 -94.92 111.53 23.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.445 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.6 mt -102.51 121.0 41.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.203 0.525 . . . . 10.0 111.596 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -123.36 108.23 12.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.027 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 65.96 21.47 11.33 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.92 -20.36 48.16 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.783 -0.723 . . . . 10.0 112.474 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -91.09 155.67 18.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.24 -0.281 . . . . 10.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -98.19 129.81 44.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.22 0.533 . . . . 10.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.7 118.57 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.452 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -83.77 172.35 12.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.576 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.6 m-20 -74.87 -24.89 58.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.621 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.83 20.68 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.464 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -88.59 148.65 23.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.791 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -123.32 146.54 49.73 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.434 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.0 -13.61 40.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.425 2.083 . . . . 10.0 112.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -73.9 -36.38 64.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.0 pt-20 -83.82 174.37 10.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.542 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 91.8 mt 71.65 -53.09 0.69 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.404 0.681 . . . . 10.0 111.257 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.4 56.45 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.3 mtt -82.0 131.26 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.5 mm-40 -123.15 179.78 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.136 0.493 . . . . 10.0 111.463 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 19.3 tp10 -74.14 140.97 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.392 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 67.35 23.59 9.19 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.576 0.548 . . . . 10.0 110.359 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -71.22 159.63 34.29 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.553 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -114.19 130.63 68.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.146 0.498 . . . . 10.0 111.62 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.1 tt -136.83 141.21 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.45 149.08 26.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.922 0.391 . . . . 10.0 111.749 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -129.59 122.92 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.494 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -128.08 159.83 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.608 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -79.14 126.47 30.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.233 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -72.98 148.04 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -65.57 -17.37 64.53 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.118 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.94 -26.81 64.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.793 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.24 -35.24 3.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.112 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.793 -1.004 . . . . 10.0 111.491 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.58 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.577 0.227 . . . . 10.0 110.802 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -134.0 21.05 3.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.93 0.395 . . . . 10.0 110.514 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -101.65 128.9 47.74 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.604 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -129.46 110.5 17.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.129 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.2 Cg_endo -80.04 124.47 5.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.823 2.348 . . . . 10.0 111.457 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.1 mt -120.12 122.95 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 28.5 t -108.34 120.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.131 -0.692 . . . . 10.0 109.131 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.9 pt -88.29 170.27 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 10.0 111.325 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 6.0 m -105.45 95.59 5.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.412 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.37 114.37 9.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.703 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.9 107.15 5.83 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.41 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo . . . . . 0 C--O 1.254 1.275 0 C-N-CA 122.539 2.159 . . . . 10.0 112.071 179.689 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mm -83.38 129.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.8 ttpm? -100.0 112.61 24.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.273 0.558 . . . . 10.0 111.167 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.2 mt -100.96 143.4 31.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.208 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -96.92 108.26 20.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.741 0.305 . . . . 10.0 110.503 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.2 t -89.95 121.75 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -103.07 120.53 53.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.682 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.35 176.27 35.37 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.363 -0.695 . . . . 10.0 111.363 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.68 -20.09 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.015 0.436 . . . . 10.0 111.058 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.57 5.78 30.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m 63.67 72.29 0.47 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.7 179.46 4.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.924 -1.035 . . . . 10.0 110.322 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 1.0 OUTLIER -138.22 53.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.437 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.8 mm -63.61 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -109.36 99.83 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.501 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.42 113.93 26.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.396 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HD2' HG22 ' B' ' 363' ' ' VAL . 86.4 mttt -89.05 102.42 15.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.044 0.449 . . . . 10.0 109.821 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.6 m -98.78 167.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.809 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -103.43 124.25 48.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.283 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB ' ' A' ' 41' ' ' THR . 54.6 tpp -80.65 74.77 7.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.19 0.519 . . . . 10.0 110.764 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.524 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.7 t 174.79 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.794 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -93.46 151.69 19.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.874 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' HA ' HG22 ' A' ' 76' ' ' THR . 59.8 m80 -63.3 149.03 46.66 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.021 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 47' ' ' LEU . 47.8 mt -68.89 -6.98 30.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.751 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.1 tptt -56.37 -52.36 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.22 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -66.7 -29.69 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.042 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.5 mm? -74.01 -44.47 54.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.436 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -60.15 -47.63 85.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.508 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.97 -39.16 93.07 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.154 -0.218 . . . . 10.0 110.961 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.3 m -63.07 -37.58 87.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.625 0.25 . . . . 10.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.3 t80 -65.75 -39.96 91.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.0 m -62.83 -43.1 99.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.75 -38.79 92.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -61.32 -40.33 93.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.562 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.1 mm100 -78.33 -26.21 46.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 10.0 110.58 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.17 34.07 7.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.932 -0.651 . . . . 10.0 112.046 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.68 156.29 80.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.58 163.77 35.58 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.2 1.934 . . . . 10.0 111.124 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttt -75.94 157.04 33.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 10.0 110.816 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 71.45 19.47 5.18 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.656 0.782 . . . . 10.0 111.596 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.3 p -97.95 -35.54 10.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.9 mt -111.84 143.63 42.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.848 -1.069 . . . . 10.0 109.959 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.531 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.9 ptt180 -110.33 127.72 55.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -91.76 119.96 32.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.905 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -110.27 118.62 36.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.257 0.551 . . . . 10.0 111.372 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -119.21 111.76 18.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 62.7 26.79 15.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.2 0.524 . . . . 10.0 110.155 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.5 -26.03 19.91 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.973 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -85.43 138.45 32.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.669 0.271 . . . . 10.0 110.797 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -81.89 129.7 34.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.079 0.466 . . . . 10.0 110.137 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.43 123.24 22.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.701 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 166.44 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.834 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.9 m-20 -72.87 -27.57 61.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.911 0.386 . . . . 10.0 110.963 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -92.41 11.91 24.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.464 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -84.41 151.29 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.823 0.344 . . . . 10.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 43' ' ' HIS . 70.9 p -126.25 158.02 68.08 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.992 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.9 -14.36 38.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.467 2.111 . . . . 10.0 112.101 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.79 -43.78 65.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.4 pt-20 -82.11 172.53 13.09 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 mt 74.25 -47.16 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.107 0.563 . . . . 10.0 110.364 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.64 46.56 0.9 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.165 -0.541 . . . . 10.0 112.659 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.7 mtt -75.92 113.18 13.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.718 0.294 . . . . 10.0 110.644 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 31.6 mm-40 -109.06 175.49 5.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.703 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.531 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 15.7 tp10 -70.0 143.18 52.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 67.4 22.54 9.4 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.479 0.487 . . . . 10.0 111.299 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -77.85 159.74 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.361 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -109.13 130.68 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.14 0.495 . . . . 10.0 112.206 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 18.6 tt -133.87 135.88 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -105.33 152.7 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 10.0 111.617 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.36 124.4 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.657 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -130.59 169.08 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.891 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.91 141.49 28.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.662 0.268 . . . . 10.0 110.692 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.0 mm-40 -77.95 161.98 27.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.149 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -68.16 -21.91 64.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.087 0.47 . . . . 10.0 110.582 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -32.51 60.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.02 10.11 86.42 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.077 -0.583 . . . . 10.0 112.523 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.104 -1.386 . . . . 10.0 111.446 -179.774 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.585 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.913 0.387 . . . . 10.0 110.354 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -134.4 27.46 3.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.218 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 8.5 ptp180 -103.94 138.83 39.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.824 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 360' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 26.0 t0 -137.53 112.15 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.174 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 360' ' ' ASP . 4.1 Cg_exo -73.98 105.22 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.979 2.453 . . . . 10.0 112.725 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 48.1 mt -96.61 120.3 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 363' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 37' ' ' LYS . 3.3 t -123.16 131.23 73.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.245 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.47 135.44 62.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.72 124.31 29.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.756 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.97 146.29 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.813 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 367' ' ' SER . . . . . 0.43 ' HA ' ' HD3' ' B' ' 368' ' ' PRO . 0.1 OUTLIER -136.5 141.45 35.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.545 -179.73 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 368' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 367' ' ' SER . 45.8 Cg_exo . . . . . 0 C--O 1.249 1.056 0 C-N-CA 123.054 2.503 . . . . 10.0 112.379 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.739 0.304 . . . . 10.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -100.92 132.85 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.072 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 9.5 ttpp -114.38 99.48 7.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 10.0 110.661 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.41 155.4 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.937 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 50.9 mtpt -109.48 108.79 19.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -95.19 114.33 31.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -84.21 113.43 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.978 0.418 . . . . 10.0 110.52 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.77 169.13 42.32 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.446 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.38 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.029 0.443 . . . . 10.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.49 21.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.475 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 60.61 36.61 19.69 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.911 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.4 157.6 16.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.051 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' B' ' 359' ' ' ARG . 28.6 mt-10 -119.74 75.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.9 mm -66.81 124.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.758 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 4.4 m170 -97.65 84.26 3.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.414 0.626 . . . . 10.0 110.096 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -79.26 114.02 17.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.332 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -88.29 109.58 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -105.15 164.65 3.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.815 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -105.92 118.63 37.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.6 tpp -74.07 78.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.333 0.587 . . . . 10.0 110.769 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.2 t 175.74 -25.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.544 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -94.76 143.17 26.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.333 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.93 153.56 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.666 0.27 . . . . 10.0 110.617 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.35 -8.51 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.714 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 27.1 tptt -58.78 -52.61 64.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 10.0 110.399 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -68.0 -32.04 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.436 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.07 -46.12 78.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.6 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.847 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 pt-20 -68.08 -35.37 78.08 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.807 -0.357 . . . . 10.0 111.309 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.7 m -65.69 -36.65 84.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.911 0.386 . . . . 10.0 110.447 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.87 -36.37 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.049 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -63.35 -44.62 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.057 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 74.7 mt-30 -62.22 -34.78 77.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.511 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HG2' HD13 ' B' ' 362' ' ' ILE . 22.4 tpt180 -66.8 -42.19 86.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.809 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -78.91 -12.15 60.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.217 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.89 30.62 42.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.394 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.79 153.9 81.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 122.85 -0.206 . . . . 10.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.76 165.63 31.47 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.281 1.987 . . . . 10.0 111.113 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 17.2 ttt -76.09 160.55 29.67 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.307 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 59' ' ' MET . 6.1 m-20 74.66 9.66 4.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.208 0.603 . . . . 10.0 111.604 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 p -92.66 -38.25 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.172 0.51 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 92' ' ' GLN . 39.6 mt -113.51 148.37 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.714 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 18.7 ptt-85 -110.18 133.59 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.407 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.66 118.74 32.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.52 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 54.6 mt -106.82 130.47 54.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.109 0.481 . . . . 10.0 111.028 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -137.65 115.28 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.904 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 61.8 30.2 18.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.049 0.452 . . . . 10.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.07 -24.83 16.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.553 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -88.55 164.6 15.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -107.16 132.7 52.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.893 0.378 . . . . 10.0 110.331 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.89 122.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.389 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 174.71 11.3 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 m-20 -82.25 -15.41 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.019 0.437 . . . . 10.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -109.27 20.78 17.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 148.05 25.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.436 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 142.05 31.61 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.409 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.98 -15.81 29.31 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.65 2.233 . . . . 10.0 113.002 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -79.5 -21.41 45.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 10.0 110.403 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.51 168.06 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.703 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 71.82 -50.22 0.69 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.717 0.636 . . . . 10.0 111.145 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.86 57.99 0.25 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.559 -0.616 . . . . 10.0 111.559 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.3 mtt -84.63 122.77 29.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 10.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -115.24 -175.67 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.9 142.98 39.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 19.5 mm-40 60.85 33.29 20.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.02 0.438 . . . . 10.0 110.754 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.41 158.43 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.215 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.48 130.7 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.134 0.492 . . . . 10.0 111.95 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 tt -134.13 133.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 1.7 mt-10 -100.44 151.93 20.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.978 0.418 . . . . 10.0 111.339 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.23 118.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.67 165.0 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.416 ' HA ' HD23 ' A' ' 62' ' ' LEU . 17.9 tt0 -76.39 134.42 39.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.982 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.5 mm-40 -76.57 165.1 25.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.353 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.82 -36.34 83.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.488 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 p -65.84 -48.64 70.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.7 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.83 8.63 67.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.813 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.856 -0.969 . . . . 10.0 112.032 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.462 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.1 OUTLIER . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -114.64 6.07 15.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.9 0.381 . . . . 10.0 111.344 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 33' ' ' GLU . 28.8 mtt180 -106.65 126.6 52.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.131 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -128.33 111.19 19.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.234 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 62.4 Cg_endo -76.31 134.82 16.07 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.973 2.448 . . . . 10.0 112.481 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 362' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 54' ' ' ARG . 25.4 mt -135.6 125.77 42.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 14.1 t -108.3 134.13 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.248 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 10.9 pt -87.64 172.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.457 . . . . 10.0 111.63 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 22.2 m -116.37 99.34 7.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.116 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.8 109.04 14.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.644 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 1.7 p -132.37 109.45 13.64 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 122.682 2.255 . . . . 10.0 111.823 179.397 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.502 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 16.2 mm -84.45 130.67 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.368 . . . . 10.0 110.476 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . 5.0 mtpm? -103.76 111.22 23.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.7 130.27 45.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.726 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -91.48 113.88 26.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 10.0 111.131 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.0 t -98.58 118.41 45.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.327 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.9 mm -95.57 119.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.836 0.35 . . . . 10.0 111.119 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.62 165.57 26.02 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.747 -0.74 . . . . 10.0 111.649 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 10.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.54 13.39 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.624 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m 66.19 40.0 4.01 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.44 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.87 154.58 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.096 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 37.5 mt-10 -125.51 69.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.976 -0.749 . . . . 10.0 108.976 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.448 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 35.9 mm -67.85 135.45 28.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.696 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.8 OUTLIER -110.57 94.17 4.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.132 0.492 . . . . 10.0 110.013 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.54 113.66 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.221 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -86.02 99.14 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.502 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 17.0 m -97.99 159.39 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.505 0.669 . . . . 10.0 112.337 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' HG22 ' A' ' 41' ' ' THR . 86.3 tttt -102.63 118.35 36.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.801 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.545 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.0 tpp -76.51 84.41 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 10.0 111.651 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.0 t 171.11 -36.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.84 178.478 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -87.28 143.88 27.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.274 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -61.72 152.5 30.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.599 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 75' ' ' HIS . 6.4 mt -65.13 -8.43 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.646 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 39.9 tptt -56.52 -48.32 77.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.113 0.482 . . . . 10.0 110.06 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -69.79 -31.96 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.852 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 44' ' ' LEU . 3.1 mm? -70.49 -44.99 66.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.18 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -60.08 -46.81 88.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.219 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.88 -37.74 84.96 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.275 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.0 m -63.0 -38.46 91.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.729 0.3 . . . . 10.0 110.959 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -67.59 -40.64 84.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.728 0.299 . . . . 10.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 60.9 m -61.92 -45.83 92.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 10.0 110.104 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -68.47 -25.42 64.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.632 ' HG2' HD13 ' B' ' 362' ' ' ILE . 21.9 tpt180 -70.32 -41.67 72.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -74.87 -26.53 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.398 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.97 29.41 8.59 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.915 -0.659 . . . . 10.0 111.877 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.43 154.48 79.26 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.99 169.31 15.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.342 2.028 . . . . 10.0 111.479 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -80.46 158.27 25.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.893 -0.323 . . . . 10.0 110.456 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 74.25 9.39 4.5 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.798 0.687 . . . . 10.0 111.387 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -90.59 -40.77 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.473 0.654 . . . . 10.0 109.61 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 mt -107.02 138.76 42.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.3 ptt-85 -102.15 126.98 49.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -91.34 117.92 30.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.284 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.56 131.0 55.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.182 0.515 . . . . 10.0 111.3 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -136.29 114.48 11.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.21 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 61.8 31.16 18.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.365 0.602 . . . . 10.0 110.699 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.55 -25.77 12.29 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.693 -0.685 . . . . 10.0 113.182 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -85.13 152.06 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.673 0.273 . . . . 10.0 110.979 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -93.76 128.08 39.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.158 0.504 . . . . 10.0 109.932 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.7 mm -68.92 121.65 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.99 176.0 8.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.0 m-20 -84.2 -12.51 54.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.467 0.651 . . . . 10.0 110.06 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -105.4 27.35 8.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.547 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.42 138.75 33.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.83 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.63 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.4 139.47 25.39 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.74 -7.8 8.13 Favored 'Trans proline' 0 N--CA 1.477 0.554 0 C-N-CA 122.657 2.238 . . . . 10.0 113.426 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -85.63 -16.79 38.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.331 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.2 pt-20 -103.32 176.01 5.29 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.939 -0.305 . . . . 10.0 110.642 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -63.35 0.43 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.844 0.715 . . . . 10.0 110.336 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.16 59.79 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.056 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -96.99 128.53 44.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.691 0.281 . . . . 10.0 110.373 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.2 mm-40 -132.75 179.09 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.788 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE2' ' HB2' ' A' ' 23' ' ' LYS . 52.1 tp10 -65.06 137.04 57.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.657 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 65.7 36.77 6.12 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.713 0.633 . . . . 10.0 111.416 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -84.52 171.4 12.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.143 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.57 125.46 73.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.896 0.379 . . . . 10.0 111.323 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.2 tt -128.11 136.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.514 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -102.47 151.97 21.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.874 0.369 . . . . 10.0 111.103 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -140.22 123.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.929 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.15 160.93 36.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.51 133.35 33.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.948 0.404 . . . . 10.0 110.697 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.478 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.7 mm-40 -73.38 155.35 39.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.382 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.42 -17.52 64.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -18.06 60.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.488 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.7 -64.12 4.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.99 -0.895 . . . . 10.0 111.077 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.542 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 121.001 0.429 . . . . 10.0 110.695 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -110.15 20.39 17.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.14 0.495 . . . . 10.0 110.357 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 91.9 mtt180 -111.6 162.85 14.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.455 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -159.16 112.14 1.56 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.358 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.3 Cg_endo -82.1 115.84 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.443 2.095 . . . . 10.0 112.075 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 362' ' ' ILE . . . . . 0.632 HD13 ' HG2' ' A' ' 54' ' ' ARG . 24.2 mt -107.73 123.49 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.38 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.61 131.58 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pp -94.36 169.6 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 10.0 111.975 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 3.4 m -111.37 125.23 53.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.963 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.82 127.21 55.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.73 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 15.3 m -147.23 95.24 4.41 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.749 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo . . . . . 0 C--O 1.247 0.961 0 C-N-CA 123.107 2.538 . . . . 10.0 112.179 179.615 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -95.89 126.54 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.446 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.4 ttpm? -108.45 106.52 16.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.62 137.74 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.077 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -97.97 111.17 23.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.823 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -92.57 119.94 41.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.654 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mm -95.49 113.08 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.48 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.47 170.8 41.05 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.056 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -63.78 -21.73 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 10.0 111.007 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -91.78 12.23 22.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.794 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 m 65.97 49.95 1.54 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.47 167.34 12.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.418 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.545 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 15.5 tt0 -133.01 65.66 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.429 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.0 mm -68.03 134.75 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.033 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 30.6 m170 -104.17 102.45 12.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.607 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.66 114.34 26.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -89.82 102.79 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.2 160.48 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.024 0.44 . . . . 10.0 111.357 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -108.4 139.89 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.224 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.2 tpp -81.21 79.77 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 40' ' ' MET . 13.7 t 169.54 -20.49 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 148.18 22.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.761 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -72.51 148.52 44.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HA ' HD23 ' A' ' 47' ' ' LEU . 86.7 mt -73.6 -3.83 30.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.135 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 15.7 tttp -57.8 -53.48 57.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.373 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -64.0 -32.68 74.3 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.45 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.9 mm? -64.99 -39.71 93.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.134 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.58 -50.67 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.754 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -69.31 -36.46 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.459 -179.029 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.1 m -62.41 -40.94 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.793 0.33 . . . . 10.0 110.716 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -65.9 -37.78 87.0 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.17 -42.96 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.0 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.69 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.063 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -60.32 -40.97 92.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.351 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.26 -24.7 29.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.624 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.5 41.85 4.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.211 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -131.71 155.35 81.53 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.08 167.14 18.79 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.307 2.005 . . . . 10.0 112.218 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.91 136.69 56.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.253 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.36 24.61 8.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.257 -0.883 . . . . 10.0 112.781 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -83.89 -29.51 27.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.47 0.652 . . . . 10.0 109.715 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.6 mt -115.84 138.87 50.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.173 -0.922 . . . . 10.0 110.457 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -100.92 126.25 47.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.838 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HB3' HD11 ' A' ' 88' ' ' ILE . 84.5 m-85 -91.71 116.08 28.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' GLN . 79.1 mt -103.03 118.52 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.29 0.567 . . . . 10.0 111.3 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -123.8 112.4 17.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.349 -0.841 . . . . 10.0 108.888 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 62.86 33.17 15.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.194 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.33 -17.42 51.99 Favored Glycine 0 CA--C 1.52 0.363 0 CA-C-N 115.943 -0.571 . . . . 10.0 113.473 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 19.0 mt-30 -98.21 161.5 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.607 -0.349 . . . . 10.0 110.691 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 129.97 50.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.5 mm -60.34 126.62 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 10.0 112.187 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.05 163.81 14.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.094 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -68.98 -32.96 72.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.939 0.4 . . . . 10.0 111.54 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -90.54 4.28 51.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.265 -0.272 . . . . 10.0 111.551 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.48 144.08 48.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.213 0.53 . . . . 10.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 42.0 p -118.79 158.68 46.94 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.317 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 11.7 Cg_exo -70.91 -9.43 25.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.145 1.897 . . . . 10.0 111.849 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -78.03 -40.59 38.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.922 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 9.3 pt-20 -81.61 167.72 18.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 4.0 mt 73.35 -54.49 0.69 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.766 0.666 . . . . 10.0 111.268 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.05 79.39 0.68 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.992 -0.623 . . . . 10.0 111.736 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -115.51 122.56 46.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.588 0.232 . . . . 10.0 110.478 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.4 mm-40 -124.86 -176.69 3.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 10.0 111.031 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 3.9 tp10 -68.5 145.45 54.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.1 mm-40 67.95 21.84 8.78 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.461 0.475 . . . . 10.0 111.612 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -79.03 160.34 27.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.604 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.77 135.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.051 0.453 . . . . 10.0 111.842 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 64' ' ' PHE . 19.7 tt -135.33 141.21 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.344 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.93 148.93 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.828 0.347 . . . . 10.0 111.28 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.95 122.66 54.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.187 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -132.8 157.38 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.849 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.98 142.86 31.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.62 0.248 . . . . 10.0 110.764 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.11 155.23 32.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.983 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -21.21 62.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.067 0.461 . . . . 10.0 110.332 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -5.86 52.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.42 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.52 -63.64 4.38 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.472 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.792 0 CA-C-O 118.945 -0.92 . . . . 10.0 111.289 179.813 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.664 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.621 0.724 . . . . 10.0 110.61 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -81.92 -9.32 59.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.242 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.5 ptp85 -112.21 126.2 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.146 0.498 . . . . 10.0 111.922 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -119.02 113.87 35.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.378 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.1 Cg_endo -79.93 123.45 5.19 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.659 2.24 . . . . 10.0 113.41 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.23 122.93 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.716 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.69 119.37 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.218 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.34 -178.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 11.8 m -117.68 138.1 52.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.693 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.05 131.87 56.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.348 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 15.1 m -151.8 83.76 5.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.727 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 C--O 1.251 1.162 0 C-N-CA 122.548 2.166 . . . . 10.0 111.966 179.533 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.71 0.291 . . . . 10.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.9 mm -122.7 121.41 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.97 96.39 7.0 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.109 0.481 . . . . 10.0 111.181 -178.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.0 mt -83.22 150.66 26.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -107.36 104.14 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.17 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.1 t -89.55 123.0 41.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.323 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mm -91.51 114.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.714 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.74 169.23 50.37 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.839 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.99 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 10.0 111.196 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.48 18.48 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m 63.62 49.85 2.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.074 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 158.61 15.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.045 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.616 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.4 tt0 -117.54 77.78 1.17 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.49 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 28.5 mm -74.77 127.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.329 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 27.5 m170 -99.58 87.46 3.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.22 0.533 . . . . 10.0 110.196 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.01 108.91 15.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.329 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -85.92 97.42 10.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -95.27 162.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.567 . . . . 10.0 111.687 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -105.52 120.52 41.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.469 ' O ' ' HB ' ' A' ' 41' ' ' THR . 59.0 tpp -70.56 83.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 10.0 111.258 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.5 t 170.21 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.63 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -81.66 138.25 35.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.574 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 145.69 55.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.99 -17.1 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.638 0.256 . . . . 10.0 111.157 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -54.88 -45.23 74.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 10.0 109.938 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -70.34 -36.93 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.975 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 47' ' ' LEU . 3.2 mm? -68.25 -41.35 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.123 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -59.79 -47.5 85.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.574 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.3 pt-20 -69.96 -39.52 75.94 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.966 -0.294 . . . . 10.0 111.454 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -59.44 -37.81 79.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.879 0.371 . . . . 10.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.31 -40.78 81.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.139 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.7 m -61.5 -41.83 97.89 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.265 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.2 mt-30 -60.84 -41.53 95.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.906 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -30.69 68.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.346 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -79.94 -27.97 39.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 10.0 110.957 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.35 18.68 30.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.316 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.0 m -122.07 153.5 61.08 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.51 164.78 31.51 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.48 2.12 . . . . 10.0 111.348 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.4 ttt -73.41 159.95 32.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.738 -0.385 . . . . 10.0 110.501 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t30 70.3 20.41 6.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 p -102.82 -43.9 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 10.0 110.215 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -103.47 137.49 41.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.0 ptt-85 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 10.0 109.914 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HB3' HD11 ' A' ' 88' ' ' ILE . 86.8 m-85 -91.5 118.44 30.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.064 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.0 mt -100.46 125.83 46.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.255 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -126.99 98.24 5.25 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.176 -0.92 . . . . 10.0 109.259 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 63.18 24.42 14.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.772 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -26.97 17.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.777 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -87.32 145.57 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.634 0.254 . . . . 10.0 110.634 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -94.79 117.9 30.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 10.0 110.063 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -56.82 126.74 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.191 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.05 168.7 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.874 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.87 -20.63 45.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.119 0.485 . . . . 10.0 110.714 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -92.54 4.51 53.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.919 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -82.62 151.44 26.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.899 0.381 . . . . 10.0 111.099 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.96 150.2 68.42 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.649 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.81 -8.67 16.29 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 122.693 2.262 . . . . 10.0 113.335 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -78.29 -20.86 50.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 10.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.8 pt-20 -110.43 -179.4 3.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.235 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.98 -10.07 0.79 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.172 0.589 . . . . 10.0 112.105 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.76 53.48 3.99 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.9 mtt -92.68 123.54 36.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.816 0.341 . . . . 10.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 5.1 mm-40 -127.49 178.53 6.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 27.4 tp10 -70.17 135.38 49.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.424 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 13.0 mm-40 76.5 17.8 1.86 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.785 0.678 . . . . 10.0 111.402 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -72.97 143.17 47.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.952 0.406 . . . . 10.0 110.109 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -95.33 131.89 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.759 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 7.3 tt -136.02 124.95 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.365 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.22 155.26 16.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.772 0.32 . . . . 10.0 111.071 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.09 126.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.123 0.487 . . . . 10.0 110.631 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.77 158.12 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.68 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -87.71 137.9 31.93 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.727 -0.389 . . . . 10.0 111.083 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.2 mm-40 -71.46 164.26 26.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.09 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 10.0 110.523 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -34.61 77.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.6 -32.88 6.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.45 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.859 -0.967 . . . . 10.0 111.21 -179.632 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 121.18 0.514 . . . . 10.0 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -127.23 -5.52 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.751 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.616 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.4 ptp180 -110.92 153.78 25.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.655 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -148.73 106.99 3.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.75 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.557 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 3.9 Cg_exo -79.55 135.45 11.71 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.034 2.489 . . . . 10.0 113.438 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.66 138.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.519 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 1.7 t -119.95 152.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt -120.0 171.95 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.219 0.533 . . . . 10.0 111.792 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 1.5 m -102.27 135.5 43.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.222 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -115.84 126.48 54.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.075 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 21.6 m -146.47 106.83 4.09 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-O 120.621 0.248 . . . . 10.0 110.78 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--O 1.252 1.175 0 C-N-CA 123.007 2.471 . . . . 10.0 112.347 179.593 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 38' ' ' VAL . 51.0 mm -69.41 117.48 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -107.6 115.9 30.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.657 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.47 133.91 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.848 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -97.89 102.93 14.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.319 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -85.74 111.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.087 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' SER . 32.9 mm -91.1 117.32 34.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.001 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.99 162.96 32.95 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.533 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -67.73 -16.25 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.69 0.281 . . . . 10.0 111.373 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -92.69 21.23 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 10.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m 65.05 41.92 4.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.995 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 2.8 p -101.88 145.81 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.489 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 20.9 tt0 -119.49 80.99 1.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.24 0.543 . . . . 10.0 109.563 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.2 mm -74.68 126.38 35.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.693 -178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 18.3 m170 -98.89 87.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.278 0.561 . . . . 10.0 110.024 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -86.61 113.26 22.35 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.61 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.0 113.95 25.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.903 0.383 . . . . 10.0 109.978 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 22' ' ' ILE . 5.5 m -103.54 159.77 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.342 0.591 . . . . 10.0 111.471 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -95.19 122.12 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.187 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.572 ' O ' ' HB ' ' A' ' 41' ' ' THR . 6.7 tpt -73.5 74.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.283 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.7 t 168.06 -24.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.284 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.8 m -89.14 142.3 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.971 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' HA ' HG23 ' A' ' 76' ' ' THR . 1.5 m-70 -63.64 144.0 57.37 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.248 179.372 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.86 -9.68 46.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.465 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 32.2 tptt -59.43 -45.75 90.67 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 177.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -66.66 -39.58 88.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.943 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.0 mm? -63.24 -47.26 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.6 -50.4 73.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.307 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 25.1 pt-20 -67.23 -36.5 81.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.807 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -70.63 -33.23 70.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 10.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -66.68 -39.25 88.05 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.17 -40.5 90.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.831 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 76.3 mt-30 -63.96 -36.83 85.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.477 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HG2' HD13 ' B' ' 362' ' ' ILE . 15.7 tpt85 -64.1 -36.61 84.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.44 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -79.63 -18.9 50.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.449 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.3 27.73 24.57 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.434 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.47 156.84 79.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.835 0.317 . . . . 10.0 110.546 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.73 167.61 26.06 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.288 1.992 . . . . 10.0 111.669 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 19.9 ttt -75.09 162.77 28.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' MET . 5.1 m-20 72.47 15.55 5.09 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.245 0.618 . . . . 10.0 111.558 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 p -99.15 -45.43 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.623 . . . . 10.0 109.649 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 mt -108.3 142.83 38.02 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.158 -0.928 . . . . 10.0 110.744 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.5 ptt-85 -111.85 132.49 54.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -95.22 121.76 37.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.129 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -106.64 121.67 44.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.058 0.456 . . . . 10.0 111.131 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -127.93 117.75 22.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.096 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 65.18 19.55 11.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 123.431 0.457 . . . . 10.0 111.645 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.39 -22.68 38.87 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.198 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.12 169.97 9.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.489 0.185 . . . . 10.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.82 134.25 49.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -65.35 119.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.182 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.52 167.09 22.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.722 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.6 m-20 -74.78 -27.92 60.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.026 0.441 . . . . 10.0 110.77 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.31 25.1 6.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.622 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 154.1 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.022 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -139.56 153.35 70.36 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.665 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' PRO . . . . . 0.557 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 20.9 Cg_exo -65.55 -8.62 19.71 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.395 2.063 . . . . 10.0 111.869 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -73.56 -17.54 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.792 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 76' ' ' THR . 4.6 pt-20 -118.82 175.91 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.48 -60.89 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.796 0.685 . . . . 10.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.37 76.15 0.19 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.087 -0.578 . . . . 10.0 111.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 62.2 mtt -110.98 120.04 41.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 40.2 mt-10 -118.23 -172.87 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 10.0 111.244 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.72 141.01 48.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.695 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 66.56 23.44 10.4 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.672 0.608 . . . . 10.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -75.93 133.42 40.5 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.63 133.02 32.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.234 0.54 . . . . 10.0 111.983 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 20.4 tt -133.91 146.84 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 10.0 108.294 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.96 156.9 22.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.817 0.342 . . . . 10.0 111.49 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.38 131.48 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.532 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -134.78 173.54 11.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.976 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.01 140.21 32.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.698 0.285 . . . . 10.0 110.768 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 mm-40 -73.04 155.08 40.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.023 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.91 -30.89 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 10.0 111.42 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -9.41 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.842 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.95 -38.51 2.7 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.397 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.004 0 CA-C-O 118.891 -0.949 . . . . 10.0 110.835 179.781 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.569 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.036 0.446 . . . . 10.0 110.247 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -139.36 12.48 2.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.129 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.1 ptp180 -108.06 137.06 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.308 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -143.07 118.33 6.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.194 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.55 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 69.0 Cg_endo -78.23 128.07 8.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.688 2.259 . . . . 10.0 113.03 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 362' ' ' ILE . . . . . 0.52 HD13 ' HG2' ' A' ' 54' ' ' ARG . 12.7 mt -128.79 134.15 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.11 150.64 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 2.2 pt -116.66 173.89 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 10.0 111.299 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 1.4 m -102.05 113.93 27.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.846 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.39 103.75 4.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.909 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.98 105.25 7.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.017 -179.096 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.247 0.969 0 C-N-CA 122.632 2.221 . . . . 10.0 111.527 178.602 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.181 -0.303 . . . . 10.0 110.181 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.8 mm -90.08 123.83 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -105.13 119.85 40.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.046 0.451 . . . . 10.0 110.796 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.3 mt -103.04 142.47 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.279 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -100.24 103.42 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.448 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.474 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.3 t -87.14 112.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.9 mm -94.05 116.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.977 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.9 169.7 37.08 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.034 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -64.2 -26.8 68.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.967 0.413 . . . . 10.0 111.089 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.1 20.91 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 m 56.72 55.18 6.53 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.444 0.64 . . . . 10.0 111.78 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -111.05 138.93 46.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.645 178.881 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 29.5 tt0 -109.09 87.49 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.271 0.558 . . . . 10.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.6 mm -78.71 122.91 34.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.015 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 19.4 m170 -97.77 86.43 3.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.45 119.33 26.6 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.801 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -88.31 104.63 16.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ILE . 6.1 m -99.17 163.22 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.6 0.714 . . . . 10.0 112.112 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.71 123.94 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.871 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 tpt -79.37 63.27 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.131 0.491 . . . . 10.0 110.877 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -176.84 -29.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -89.05 148.39 23.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.811 0.338 . . . . 10.0 110.69 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -66.03 154.16 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.425 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HA ' HD23 ' A' ' 47' ' ' LEU . 29.7 mt -66.55 -10.37 44.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.488 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -57.47 -45.73 84.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 10.0 109.958 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -65.88 -33.62 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.117 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mm? -76.4 -45.42 31.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.277 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -65.29 -39.6 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.556 0.217 . . . . 10.0 111.429 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' HG21 ' B' ' 364' ' ' ILE . 17.5 m -71.22 -33.24 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.667 0.27 . . . . 10.0 111.237 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.87 -38.49 91.27 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 60.2 m -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.081 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.63 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.252 0.549 . . . . 10.0 110.133 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.73 -40.65 95.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.612 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.53 -29.49 63.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.895 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.41 28.68 10.24 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.066 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 m -136.28 153.22 76.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.45 161.98 29.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.28 1.987 . . . . 10.0 111.987 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.526 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 18.4 ttt -70.84 153.52 42.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.652 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 59' ' ' MET . 1.8 m-20 81.3 -9.0 1.33 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.931 0.892 . . . . 10.0 111.884 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 m -75.41 -28.06 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.221 0.534 . . . . 10.0 109.934 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.0 mt -113.04 135.84 53.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.222 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.5 ptt-85 -102.9 132.97 48.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.151 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 46.4 m-85 -95.33 117.13 29.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.895 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.84 118.34 36.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.175 0.512 . . . . 10.0 110.775 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -136.93 123.78 21.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 63.71 17.92 10.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.403 0.439 . . . . 10.0 110.853 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.94 -8.34 80.01 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.108 -0.567 . . . . 10.0 111.997 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -100.81 165.97 11.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.361 . . . . 10.0 110.57 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -95.59 122.26 38.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.632 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 64' ' ' PHE . 32.9 mm -68.37 116.6 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.028 0.442 . . . . 10.0 110.778 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.33 162.23 18.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.85 -22.34 64.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.697 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -93.52 5.1 52.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.174 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.19 149.76 27.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 10.0 111.025 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -123.5 143.14 40.73 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.763 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -13.69 28.68 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.587 2.191 . . . . 10.0 113.043 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -22.34 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.289 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -106.19 179.3 4.31 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 54.7 mt 71.08 -61.86 0.47 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.751 0.657 . . . . 10.0 111.064 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.79 72.18 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.389 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.1 mtt -116.88 123.51 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 26.1 mt-10 -130.1 -171.05 2.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.237 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.7 tp10 -73.73 144.76 45.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.74 30.24 16.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.933 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -80.24 154.11 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.426 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.37 132.03 59.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.7 tt -136.99 142.29 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.17 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.56 153.03 24.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.982 0.42 . . . . 10.0 111.046 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.31 134.1 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.124 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -137.95 171.39 14.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.616 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -88.62 136.86 32.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.799 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 9.2 mm-40 -77.93 151.26 33.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.17 -36.56 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.606 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -69.08 -27.51 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.039 0.447 . . . . 10.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.51 2.63 88.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.722 -0.751 . . . . 10.0 111.326 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.934 -0.926 . . . . 10.0 111.035 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.55 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.582 0.229 . . . . 10.0 110.491 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -164.77 20.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 10.0 111.162 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 31.8 mtp180 -101.78 123.23 45.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.673 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -128.7 108.54 18.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.978 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.9 Cg_exo -77.31 124.93 7.43 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.877 2.385 . . . . 10.0 112.156 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.08 130.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.788 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 12.5 t -130.04 129.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 364' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 50' ' ' SER . 1.1 pt -116.4 160.82 15.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 10.0 111.238 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.7 m -90.15 148.35 23.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -88.37 159.29 18.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.224 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 8.5 p -156.62 82.4 3.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.983 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo . . . . . 0 C--O 1.252 1.201 0 C-N-CA 123.39 2.727 . . . . 10.0 111.999 179.32 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.22 117.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.3 ttpm? -104.5 117.17 33.49 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.882 0.373 . . . . 10.0 110.788 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.7 mt -103.76 136.22 43.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.731 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG2' ' NE2' ' A' ' 35' ' ' HIS . 8.1 mttm -90.76 109.94 21.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.255 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.05 112.55 29.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.342 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -81.41 119.85 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -91.53 169.16 32.58 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 10.0 112.682 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -65.71 -32.06 73.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 10.0 111.454 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.75 29.75 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.395 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m 63.09 30.74 16.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.694 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -85.39 158.09 20.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.664 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -133.88 75.8 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.87 130.34 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.009 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.7 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.8 m170 -104.66 98.25 8.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.106 0.479 . . . . 10.0 110.981 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.62 122.07 32.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.102 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -94.88 100.89 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.04 167.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.102 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -112.05 133.17 54.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.555 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.3 tpp -74.95 83.94 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.474 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 171.1 -26.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.94 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -93.36 145.0 24.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -70.01 150.56 46.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.097 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.2 mt -66.85 -9.61 39.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.988 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 9.8 tptt -52.96 -53.13 54.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.841 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.342 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 47' ' ' LEU . 2.8 mm? -70.85 -41.96 70.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.074 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.8 -44.68 96.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.591 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.67 -35.42 72.83 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.763 -0.375 . . . . 10.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.2 m -64.96 -36.8 85.57 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.857 0.361 . . . . 10.0 110.418 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -65.36 -39.35 92.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.104 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.9 m -59.56 -41.98 91.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.183 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.56 -39.09 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -65.91 -29.84 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.298 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.95 -11.86 46.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.96 65.78 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 113.03 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 m -131.92 152.01 79.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.81 165.06 29.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.271 1.981 . . . . 10.0 111.995 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 8.4 ttt -70.99 165.95 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 10.0 111.474 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 59' ' ' MET . 2.2 m120 74.97 0.91 3.66 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.421 -0.808 . . . . 10.0 112.075 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.5 p -87.96 -43.8 11.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.302 0.573 . . . . 10.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.2 mt -103.06 138.46 39.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.143 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.413 ' HD3' ' NH1' ' A' ' 70' ' ' ARG . 13.9 ptt-85 -107.89 137.19 46.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.311 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.7 120.5 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.345 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -112.06 107.03 15.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.072 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -114.55 117.06 29.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.343 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 64.17 19.62 11.85 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.13 0.49 . . . . 10.0 110.379 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.27 -8.33 79.43 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.002 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.44 147.67 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH1' ' HD3' ' A' ' 63' ' ' ARG . 3.7 mmm180 -83.3 108.48 16.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.735 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 mm -60.82 118.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.192 0.52 . . . . 10.0 111.91 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.0 169.02 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.3 m-20 -73.92 -34.67 64.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.011 0.434 . . . . 10.0 111.394 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.2 7.25 22.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.687 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -79.38 143.75 34.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.033 0.445 . . . . 10.0 111.035 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.2 146.28 44.09 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.154 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.25 -11.78 27.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.448 2.099 . . . . 10.0 112.015 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.65 -37.5 82.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.572 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 1.1 pt-20 -97.72 -177.07 3.66 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 25.2 mt 71.18 -60.53 0.51 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.529 0.518 . . . . 10.0 110.695 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.51 64.54 0.12 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.095 -0.574 . . . . 10.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.1 mtt -99.63 126.8 45.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.53 -173.4 3.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.68 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 8.7 tp10 -77.0 145.35 38.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.055 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 66.73 23.19 10.21 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.747 0.655 . . . . 10.0 111.611 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.55 163.94 24.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.72 134.89 62.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.012 0.434 . . . . 10.0 111.55 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -134.19 134.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -98.06 145.92 26.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.951 0.405 . . . . 10.0 111.735 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.6 p -131.54 131.4 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.794 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -138.07 163.74 30.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.875 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -85.35 135.29 33.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.875 0.369 . . . . 10.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.23 154.9 41.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.746 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.803 . . . . 10.0 111.411 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.16 -23.24 57.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 10.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.81 -25.34 16.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.229 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.712 -1.049 . . . . 10.0 111.715 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.21 0.529 . . . . 10.0 110.664 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 -110.02 27.06 9.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.369 0.604 . . . . 10.0 109.713 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 359' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -144.14 125.01 14.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.098 -0.956 . . . . 10.0 110.729 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 360' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 6.1 p-10 -139.13 141.4 29.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.265 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.7 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 9.5 Cg_endo -88.94 133.77 2.53 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.081 2.521 . . . . 10.0 113.12 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.43 126.3 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.676 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 6.8 t -124.33 126.12 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 6.2 pt -122.0 -171.75 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.65 0.262 . . . . 10.0 110.826 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.37 145.38 20.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.342 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -126.65 153.23 45.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 3.5 m -129.1 107.65 17.94 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.074 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo . . . . . 0 C--O 1.25 1.1 0 C-N-CA 122.236 1.957 . . . . 10.0 111.905 179.844 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.387 -0.227 . . . . 10.0 110.387 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -105.65 127.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -99.39 110.0 22.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.093 0.473 . . . . 10.0 111.974 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -101.19 133.7 45.34 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -100.33 113.27 25.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.156 0.503 . . . . 10.0 111.44 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.431 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.9 t -96.64 118.52 43.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.66 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -88.43 106.81 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.89 0.376 . . . . 10.0 110.238 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.22 178.37 41.24 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 10.0 112.547 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -65.01 -28.88 69.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.807 0.337 . . . . 10.0 111.33 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.66 11.1 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.7 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m 62.8 54.68 2.23 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.543 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.464 ' HA ' ' ND2' ' B' ' 358' ' ' ASN . 0.4 OUTLIER -98.28 160.3 14.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.073 179.493 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 17.0 mt-10 -104.08 73.15 1.12 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.957 0.408 . . . . 10.0 109.929 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.431 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 36.4 mm -74.9 108.88 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.053 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.7 OUTLIER -91.62 98.03 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.073 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -86.46 113.52 22.47 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.481 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -85.45 92.27 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.4 m -96.07 164.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.309 0.576 . . . . 10.0 111.809 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -108.1 128.16 54.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.161 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.496 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -75.69 84.37 2.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.237 0.541 . . . . 10.0 111.307 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 40' ' ' MET . 14.9 t 169.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.068 -0.969 . . . . 10.0 109.806 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.21 144.39 28.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.547 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 146.72 53.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.662 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.25 -17.34 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 48.8 tptt -51.91 -51.0 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.785 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -65.42 -36.56 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.292 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD12 ' CE1' ' A' ' 36' ' ' PHE . 2.6 mm? -68.85 -39.13 80.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 10.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -46.21 78.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.691 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 11.7 pt-20 -66.94 -37.51 84.43 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.238 -0.185 . . . . 10.0 110.872 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 m -64.21 -37.33 87.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.893 0.378 . . . . 10.0 110.599 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.62 -42.9 98.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.974 0.416 . . . . 10.0 110.076 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.4 m -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.2 mt-30 -61.79 -40.28 94.66 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.767 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -64.97 -39.26 93.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -77.46 -15.13 59.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.148 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.89 30.43 38.86 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.642 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.29 155.43 81.51 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -71.99 163.81 37.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.396 2.064 . . . . 10.0 111.513 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -72.71 157.79 36.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 79.31 -15.34 0.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 10.0 111.562 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.2 -32.03 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.42 0.628 . . . . 10.0 110.066 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.24 146.26 35.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.964 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -116.03 126.75 54.21 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.315 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -90.67 121.9 32.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.915 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.8 mt -109.42 127.78 54.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.112 0.482 . . . . 10.0 110.827 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -135.23 113.97 11.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.771 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 63.79 14.11 8.0 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.453 0.471 . . . . 10.0 111.898 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.95 -16.34 43.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.228 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -97.44 159.21 15.06 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -98.32 133.41 42.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 10.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.38 118.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.398 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.87 173.21 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -81.62 -27.49 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.529 . . . . 10.0 110.358 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -99.08 22.57 10.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.657 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -76.22 140.71 41.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.934 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -115.71 140.96 26.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.208 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.3 -5.76 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.455 2.103 . . . . 10.0 112.792 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -89.77 -15.24 32.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 10.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.3 pt-20 -99.47 165.18 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.301 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 70.91 -66.76 0.28 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.409 0.684 . . . . 10.0 110.64 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.57 76.79 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.5 mtt -111.28 121.6 45.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -128.37 -173.47 2.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 10.0 111.123 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -69.78 137.91 52.29 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.271 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 65.22 23.12 12.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.881 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.79 154.62 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.96 126.43 61.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.4 tt -131.34 143.3 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.086 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -112.15 157.01 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.775 0.322 . . . . 10.0 111.293 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.32 129.88 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.295 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -137.36 170.75 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.435 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.67 139.77 30.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.7 168.45 19.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.015 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -64.29 -36.16 83.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 111.488 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.7 p -75.56 -27.68 58.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 10.0 111.184 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.27 7.32 88.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.575 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.809 0 N-CA-C 110.793 -0.923 . . . . 10.0 110.793 -179.555 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.575 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.906 0.384 . . . . 10.0 110.1 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 358' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 32' ' ' SER . 7.6 p30 -147.36 45.94 1.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.774 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 97.3 mtt180 -97.92 119.18 36.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.444 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.09 104.48 16.69 Favored Pre-proline 0 C--N 1.322 -0.628 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.328 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.623 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.7 Cg_exo -70.82 109.85 2.62 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.838 2.359 . . . . 10.0 112.314 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.87 126.26 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.9 t -125.22 128.13 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.268 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.34 172.94 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.141 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.0 p -149.06 116.33 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.888 0.375 . . . . 10.0 111.01 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -80.76 167.04 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.127 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 7.4 m -139.86 100.75 7.26 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.251 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 C--O 1.248 1.014 0 C-N-CA 122.853 2.369 . . . . 10.0 112.156 179.852 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.164 -0.31 . . . . 10.0 110.164 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.3 mm -98.67 136.45 29.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.546 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -105.99 117.93 35.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.018 0.437 . . . . 10.0 111.078 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.22 125.12 46.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 17.4 mtpt -87.97 107.1 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.179 0.514 . . . . 10.0 110.857 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.28 121.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.784 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 mm -94.33 110.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.915 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.32 162.63 38.49 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.715 -0.755 . . . . 10.0 111.416 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.64 -9.9 58.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.014 0.435 . . . . 10.0 110.865 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.72 8.34 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.926 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 69.18 61.38 0.31 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.853 0.721 . . . . 10.0 110.658 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -118.13 164.78 14.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 24.3 mt-10 -132.65 74.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 27.1 mm -67.42 133.34 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.872 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.722 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.2 OUTLIER -106.28 80.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.431 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -79.33 120.15 23.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.79 0.329 . . . . 10.0 110.466 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -93.26 105.11 17.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.51 159.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.341 0.591 . . . . 10.0 112.407 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -96.3 129.11 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.145 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.511 ' O ' ' HB ' ' A' ' 41' ' ' THR . 50.9 tpp -77.91 74.23 4.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.1 t 170.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.773 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -77.6 138.74 39.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.28 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -65.78 145.12 56.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 71' ' ' ILE . 70.3 mt -63.73 -8.62 10.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.391 . . . . 10.0 112.036 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 49.9 tptt -58.5 -44.23 89.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.52 -22.7 60.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.078 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 36' ' ' PHE . 3.3 mm? -82.46 -43.76 16.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.577 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -61.41 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.571 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.7 pt-20 -65.59 -39.8 92.0 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.707 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.73 -37.59 87.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.105 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.5 m -62.31 -43.2 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.78 -40.71 98.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.187 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.63 81.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 10.0 110.781 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -79.35 -10.47 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.82 33.66 29.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.031 -0.604 . . . . 10.0 112.737 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.32 157.96 76.3 Favored Pre-proline 0 C--N 1.323 -0.574 0 O-C-N 122.718 -0.283 . . . . 10.0 110.63 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.86 166.73 28.66 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.319 2.013 . . . . 10.0 110.774 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 10.8 ttt -76.37 157.97 31.87 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.655 -0.418 . . . . 10.0 110.542 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 59' ' ' MET . 8.4 m120 74.37 11.51 4.1 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.653 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -89.53 -38.05 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.88 134.62 52.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.876 -1.056 . . . . 10.0 110.208 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.9 ptt-85 -101.71 132.92 47.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.325 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 51.8 m-85 -91.85 112.74 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.772 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.74 114.25 28.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.201 0.524 . . . . 10.0 111.017 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -115.33 99.79 7.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.214 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 65.54 29.33 11.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.874 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.26 -27.55 17.99 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.793 -0.639 . . . . 10.0 112.274 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -85.72 128.32 34.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.639 0.257 . . . . 10.0 110.807 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 8.7 ptm180 -81.07 121.59 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 10.0 109.967 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG21 HD13 ' A' ' 44' ' ' LEU . 42.2 mm -65.05 127.98 26.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.584 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.95 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.02 -35.46 69.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.158 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.67 29.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.467 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -103.11 150.48 23.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.847 0.356 . . . . 10.0 110.63 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -126.09 150.25 68.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.142 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -66.77 -4.31 10.93 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.643 2.229 . . . . 10.0 112.793 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -80.62 -22.83 40.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.681 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' THR . 6.8 pt-20 -107.34 -178.53 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.267 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mt 73.18 -42.22 0.52 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.492 0.717 . . . . 10.0 111.546 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.93 34.97 1.18 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.012 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.8 mtt -75.67 127.81 33.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.719 0.295 . . . . 10.0 110.538 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.0 mm-40 -124.24 178.69 5.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.087 0.47 . . . . 10.0 111.31 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.93 136.42 50.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.257 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 65.88 31.77 9.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.025 0.44 . . . . 10.0 111.234 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.8 t0 -76.51 168.93 19.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.209 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.38 125.86 74.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 10.0 111.262 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -133.33 141.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.8 155.41 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.93 0.395 . . . . 10.0 111.482 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.85 125.23 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.333 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -134.65 163.19 30.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.425 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.73 138.67 31.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.699 -0.4 . . . . 10.0 110.365 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -77.15 159.64 29.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.577 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.0 -24.06 65.99 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.179 0.514 . . . . 10.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -20.57 62.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.875 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.72 -49.63 3.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.233 -0.508 . . . . 10.0 112.607 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.97 0 CA-C-O 118.634 -1.092 . . . . 10.0 111.587 -179.836 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.611 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.668 0.27 . . . . 10.0 110.437 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -119.11 11.6 12.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.808 0.337 . . . . 10.0 110.892 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.8 mpt_? -106.41 147.64 29.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.795 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -147.29 105.6 3.81 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.087 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.722 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.2 Cg_endo -73.02 123.77 9.12 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.701 2.267 . . . . 10.0 112.809 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.93 126.69 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.15 132.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 11.6 pt -115.78 171.42 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.426 -0.213 . . . . 10.0 110.426 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 3.1 m -100.73 117.34 34.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.024 0.44 . . . . 10.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.05 141.89 47.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.413 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.24 99.36 2.51 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.304 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo . . . . . 0 C--O 1.251 1.156 0 C-N-CA 123.067 2.511 . . . . 10.0 111.954 179.362 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.52 117.61 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -101.7 114.32 28.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.108 0.48 . . . . 10.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -101.11 134.81 43.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.826 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -90.19 106.23 18.34 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.7 t -90.97 115.48 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.269 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -89.52 118.7 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 169.31 38.0 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.147 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -64.73 -25.36 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.815 0.34 . . . . 10.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.45 17.03 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.262 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m 67.43 32.37 5.83 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.424 0.453 . . . . 10.0 111.407 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 p -84.76 152.53 23.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.757 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.3 tt0 -115.61 72.74 0.81 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.069 0.461 . . . . 10.0 109.868 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 51.7 mm -72.34 133.42 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.854 0.359 . . . . 10.0 111.023 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 29.6 m170 -103.79 92.25 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 10.0 110.666 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.73 113.44 22.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -93.55 111.8 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 10.0 110.512 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.36 171.76 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -117.19 137.71 52.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.4 tpp -73.3 79.17 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.472 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.5 OUTLIER 173.38 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.571 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -79.98 136.41 36.61 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.117 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 143.02 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.042 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.27 -9.56 33.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.497 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 39.0 tptt -56.65 -52.25 65.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.113 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.7 -30.58 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.03 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.8 mm? -68.76 -45.57 71.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.108 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -62.1 -47.46 84.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.928 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.1 pt-20 -64.96 -42.35 94.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -65.61 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.613 0.244 . . . . 10.0 110.98 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.68 -38.54 77.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 10.0 110.016 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.7 m -60.27 -41.29 92.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.954 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.58 -37.01 86.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.531 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HG2' HD13 ' B' ' 362' ' ' ILE . 13.6 tpt180 -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -87.96 -4.97 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.12 35.08 61.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.209 -0.52 . . . . 10.0 112.954 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -131.66 158.29 75.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 122.853 -0.204 . . . . 10.0 110.499 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.21 167.46 26.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.184 1.922 . . . . 10.0 110.998 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 20.5 ttt -75.29 154.24 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.679 -0.409 . . . . 10.0 110.115 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 59' ' ' MET . 12.6 m120 76.85 4.36 3.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.364 0.666 . . . . 10.0 111.716 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 p -82.86 -41.52 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.357 0.599 . . . . 10.0 109.566 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.61 141.75 41.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.429 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.529 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.0 ptt180 -113.8 133.05 55.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.036 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 88' ' ' ILE . 95.9 m-85 -91.77 121.09 33.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.962 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -106.09 118.62 37.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.166 0.507 . . . . 10.0 110.447 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -126.44 119.58 27.58 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 64.65 20.31 12.1 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.582 0.552 . . . . 10.0 110.699 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.61 -14.83 64.4 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -96.52 155.69 16.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.746 0.308 . . . . 10.0 110.474 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -91.53 124.76 35.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.026 0.441 . . . . 10.0 109.912 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.11 120.01 9.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.748 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.92 166.68 20.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.261 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.8 -13.95 60.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.985 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -104.53 11.78 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -84.85 150.63 24.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 10.0 111.267 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 p -126.85 154.73 76.1 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.878 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.47 -15.75 51.03 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.269 1.979 . . . . 10.0 111.645 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.39 -37.56 71.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.7 pt-20 -91.03 174.36 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.4 mt 73.11 -47.79 0.67 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.144 0.578 . . . . 10.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.76 55.81 0.45 Allowed Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.505 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.0 mtt -85.25 128.56 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.1 mm-40 -127.48 -176.3 3.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.294 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -75.7 146.69 39.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.808 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 64.19 24.47 13.41 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.568 0.543 . . . . 10.0 110.527 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -75.72 168.01 20.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.521 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.84 128.71 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.115 0.483 . . . . 10.0 111.134 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.7 tt -133.66 129.94 55.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -95.91 150.05 20.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 10.0 111.37 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.64 126.31 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.207 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -135.57 162.94 31.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.168 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -81.09 140.32 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.005 0.431 . . . . 10.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.529 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.1 mm-40 -77.18 155.23 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.237 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.4 -32.78 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.81 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -25.35 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.829 0.347 . . . . 10.0 111.627 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.09 -26.49 12.96 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.688 -1.062 . . . . 10.0 111.985 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.626 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 121.009 0.433 . . . . 10.0 110.301 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -103.02 18.01 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.757 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.3 ptp180 -95.37 121.52 37.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.865 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -120.51 114.32 33.07 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 74.1 Cg_endo -79.66 121.83 4.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.686 2.257 . . . . 10.0 112.891 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 362' ' ' ILE . . . . . 0.406 HD13 ' HG2' ' A' ' 54' ' ' ARG . 21.4 mt -115.64 121.36 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.727 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 13.7 t -117.98 127.51 75.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.89 163.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.803 0.335 . . . . 10.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 121.38 34.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.492 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -84.51 131.01 34.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.718 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 10.6 m -137.35 127.55 15.72 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.53 -0.305 . . . . 10.0 110.371 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 C--O 1.252 1.203 0 C-N-CA 122.578 2.185 . . . . 10.0 112.164 179.775 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.5 mm -81.56 128.79 38.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 4.6 ttpm? -108.07 122.95 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.057 0.456 . . . . 10.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.3 mt -103.92 143.0 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.773 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -102.5 109.99 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.828 0.347 . . . . 10.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -91.46 125.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -87.67 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.219 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.33 152.03 25.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.622 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.95 -31.49 72.7 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.992 0.425 . . . . 10.0 111.024 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.79 7.71 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.646 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 m 68.64 68.67 0.3 Allowed 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.516 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.27 152.85 51.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.852 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 60.4 tt0 -107.32 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 10.0 109.809 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.5 mm -79.02 117.17 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.7 m170 -95.15 80.4 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.903 0.382 . . . . 10.0 110.946 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.74 114.86 20.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -88.25 110.76 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.995 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.91 165.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.189 0.518 . . . . 10.0 111.347 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HG2' HG22 ' A' ' 41' ' ' THR . 82.8 tttt -113.45 122.18 46.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.191 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.557 ' O ' ' HB ' ' A' ' 41' ' ' THR . 62.2 tpp -72.56 81.81 1.1 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.978 0.418 . . . . 10.0 110.977 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.1 t 168.06 -28.08 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.458 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -91.11 138.76 31.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.214 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.58 149.12 50.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.523 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.65 -8.25 26.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.331 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 34.7 tptt -54.28 -51.61 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.417 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -69.58 -32.42 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.041 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.7 mm? -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.811 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.3 -46.77 88.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.562 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 5.7 pt-20 -70.37 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.26 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.2 m -63.27 -34.83 78.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 10.0 110.491 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -66.76 -36.18 81.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.2 m -65.18 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.9 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 84.4 mt-30 -69.32 -38.17 78.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.123 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -64.66 -39.02 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -80.22 -29.35 38.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.661 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.75 39.27 6.26 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.175 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -135.51 158.92 73.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.567 -0.16 . . . . 10.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.32 164.57 30.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 10.0 111.816 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.9 ttt -75.7 155.02 36.08 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.138 -0.225 . . . . 10.0 110.557 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 t30 75.36 3.85 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.402 0.681 . . . . 10.0 111.634 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 p -83.36 -28.21 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 10.0 109.697 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 mt -121.28 141.48 50.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.369 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 25.8 ptt-85 -106.14 131.87 52.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.059 0.457 . . . . 10.0 109.886 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -93.29 116.38 28.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.366 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.45 130.73 46.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.195 0.522 . . . . 10.0 111.481 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -146.31 121.99 10.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.91 . . . . 10.0 109.387 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.5 24.34 14.03 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.54 0.525 . . . . 10.0 111.009 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.9 -23.41 29.09 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 121.069 -0.586 . . . . 10.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -96.07 175.26 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.18 134.17 52.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.079 0.466 . . . . 10.0 110.49 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.0 mm -63.5 122.26 14.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.843 . . . . 10.0 111.536 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.83 163.18 21.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.23 -18.08 61.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.043 0.449 . . . . 10.0 110.554 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -102.95 19.9 18.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -93.53 148.96 21.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.143 0.497 . . . . 10.0 111.235 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.583 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.89 147.26 58.27 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.806 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.18 -9.6 17.89 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.751 2.3 . . . . 10.0 112.792 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -77.31 -23.74 50.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.7 pt-20 -104.35 177.42 4.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt 72.23 -52.13 0.7 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.873 0.733 . . . . 10.0 111.612 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.74 65.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.023 -0.608 . . . . 10.0 111.748 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.5 mtt -98.23 127.35 44.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.042 0.448 . . . . 10.0 110.919 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -125.35 175.46 7.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.7 tp10 -69.87 139.76 53.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.377 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 65.64 34.84 7.4 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.46 0.475 . . . . 10.0 110.932 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.13 153.68 25.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.587 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.46 127.06 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.086 0.469 . . . . 10.0 111.599 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 tt -132.42 140.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.396 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.93 155.98 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.964 0.411 . . . . 10.0 111.464 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.37 123.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.254 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.0 159.99 35.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.183 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.69 138.15 38.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 10.0 111.615 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.6 mm-40 -78.06 154.12 31.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.618 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -73.28 -14.62 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.051 0.453 . . . . 10.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.9 p -78.96 -32.84 45.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.96 1.31 84.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.793 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.871 -0.961 . . . . 10.0 111.324 -179.825 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.573 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -144.17 72.44 1.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.122 0.487 . . . . 10.0 111.065 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.2 ptp180 -144.56 130.68 19.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.739 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 360' ' ' ASP . . . . . 0.481 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 8.9 p-10 -137.32 121.25 11.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.866 0.365 . . . . 10.0 111.162 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.596 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.5 Cg_exo -77.24 114.01 3.68 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.88 2.387 . . . . 10.0 111.78 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.2 mt -99.58 119.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.142 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 24.9 t -117.87 126.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 17.2 pt -107.5 179.77 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.798 0.333 . . . . 10.0 111.124 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.8 133.13 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.863 0.364 . . . . 10.0 110.932 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -106.09 110.6 22.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.817 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 51.5 m -152.54 134.62 8.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.682 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 C--O 1.248 1.025 0 C-N-CA 122.664 2.243 . . . . 10.0 111.909 179.591 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.439 ' HB ' HG22 ' A' ' 38' ' ' VAL . 26.7 mm -122.86 111.47 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.2 ttpm? -91.58 105.04 17.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.084 0.469 . . . . 10.0 110.986 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.7 mt -93.23 128.76 39.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.083 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -92.56 104.07 16.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.84 0.352 . . . . 10.0 110.35 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.6 t -90.93 124.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -84.88 116.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -85.92 159.85 33.27 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.127 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.34 -28.5 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.932 0.345 . . . . 10.0 111.932 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -91.29 26.86 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m 62.16 40.54 11.66 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.291 0.567 . . . . 10.0 110.304 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' SER . . . . . 0.407 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.5 p -100.32 150.76 22.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 12.7 mt-10 -117.7 90.47 3.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.201 0.524 . . . . 10.0 109.89 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mm -81.63 104.37 10.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.402 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.642 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 28.0 m170 -87.84 77.79 8.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.381 0.61 . . . . 10.0 110.537 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.55 116.87 16.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HG22 ' B' ' 363' ' ' VAL . 11.4 ttmt -91.7 104.08 16.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 10.0 109.809 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 22' ' ' ILE . 6.4 m -90.53 163.61 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.482 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -105.46 127.6 53.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.121 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.542 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.7 tpp -76.07 84.4 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.707 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.0 t 170.05 -27.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.49 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.95 150.2 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.897 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -69.99 150.57 46.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.53 -8.15 24.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.29 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 53.5 tptt -57.61 -47.98 80.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 10.0 110.233 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -67.46 -26.27 66.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.0 mm? -80.03 -43.84 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.5 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.465 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.4 pt-20 -66.81 -42.87 85.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.703 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 50.9 m -62.06 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.591 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -63.51 -43.71 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 56.4 m -63.66 -41.68 98.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.382 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 96.5 mt-30 -62.33 -34.68 77.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.406 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -73.44 -36.35 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.211 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.47 -40.18 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.625 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.43 9.94 24.48 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.16 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.13 158.48 57.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.89 166.55 24.18 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.401 2.067 . . . . 10.0 112.123 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 8.5 ttt -73.31 161.57 30.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.694 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 t30 80.1 -28.86 0.14 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.906 0.882 . . . . 10.0 111.678 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -31.72 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.458 . . . . 10.0 110.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.54 129.61 55.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.756 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 14.8 ptt-85 -103.61 127.37 51.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.788 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HB3' HD11 ' A' ' 88' ' ' ILE . 79.8 m-85 -93.85 114.22 26.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.681 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.43 122.94 42.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.229 0.537 . . . . 10.0 111.073 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -128.66 111.24 12.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.355 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 61.51 30.47 18.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.362 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.9 -34.7 4.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.888 -0.673 . . . . 10.0 112.535 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.25 159.73 21.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.614 0.245 . . . . 10.0 110.42 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -102.15 130.21 48.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.861 0.362 . . . . 10.0 110.057 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.0 mm -65.15 123.02 17.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.386 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.48 178.85 8.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.11 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 18.6 m-20 -80.36 -30.32 37.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.012 0.434 . . . . 10.0 110.678 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.55 28.66 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.431 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.81 135.94 33.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.012 0.434 . . . . 10.0 110.495 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -111.37 141.75 25.07 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.321 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.02 -13.38 27.25 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.665 2.243 . . . . 10.0 112.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.69 -34.83 65.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -90.07 -179.81 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.463 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.8 mt 72.21 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.702 0.626 . . . . 10.0 111.063 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.78 48.25 0.12 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 121.026 -0.607 . . . . 10.0 112.089 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.0 mtt -82.64 137.15 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.729 0.3 . . . . 10.0 110.637 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.0 mm-40 -138.04 -170.82 2.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.391 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.62 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 6.0 tp10 -78.38 148.67 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 61.77 27.44 16.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.036 0.446 . . . . 10.0 110.512 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t0 -74.28 157.36 35.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.514 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.9 t -120.42 127.94 75.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 10.0 111.258 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.7 tt -134.25 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.184 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 152.43 21.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 10.0 111.398 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.28 123.34 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.216 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.45 163.15 27.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -93.74 138.32 32.05 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.757 -0.377 . . . . 10.0 110.713 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.9 mm-40 -72.22 171.78 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.455 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -80.39 -21.37 42.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 10.0 111.084 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.4 p -72.25 -37.12 69.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 10.0 110.765 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.32 22.79 59.95 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.66 -1.078 . . . . 10.0 111.442 179.729 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.611 ' N ' HD21 ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.8 0.333 . . . . 10.0 110.696 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -166.25 28.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.306 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 1.8 ptp180 -133.98 130.95 38.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.638 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 360' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 3.0 p-10 -139.23 137.14 18.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.721 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.642 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 96.6 Cg_endo -88.58 145.2 5.74 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.039 2.493 . . . . 10.0 113.497 -179.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.6 131.38 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.226 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 363' ' ' VAL . . . . . 0.403 HG22 ' HB3' ' A' ' 37' ' ' LYS . 55.7 t -123.65 120.48 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 4.8 pt -91.91 -172.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 10.0 111.573 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.3 m -105.51 117.8 34.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.076 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.66 98.14 6.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 367' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' B' ' 368' ' ' PRO . 0.7 OUTLIER -135.07 122.44 15.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.991 -178.764 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 368' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 367' ' ' SER . 7.5 Cg_exo . . . . . 0 C--O 1.251 1.133 0 C-N-CA 122.897 2.398 . . . . 10.0 111.975 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.7 mm -111.65 123.36 67.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HZ3' ' HB3' ' A' ' 23' ' ' LYS . 4.4 ttpm? -108.71 117.4 34.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.921 0.391 . . . . 10.0 111.073 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.55 144.0 31.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.062 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE3' ' OE2' ' A' ' 33' ' ' GLU . 38.9 mtpt -107.96 114.89 29.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 110.931 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.6 t -97.38 123.56 49.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.379 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.67 114.55 29.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.915 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.84 167.58 40.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.161 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.307 0.575 . . . . 10.0 110.52 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -91.5 10.92 25.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.905 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 66.69 31.55 7.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.368 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 p -88.33 160.09 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.125 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.522 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 8.9 tt0 -122.14 82.81 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.488 . . . . 10.0 109.834 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 14.4 mm -67.75 120.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.615 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.592 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 21.4 m170 -100.02 88.37 3.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.382 0.61 . . . . 10.0 110.643 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -86.65 118.36 26.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.411 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -95.71 111.25 23.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 10.0 109.938 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -113.41 173.67 2.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.142 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -115.88 142.23 47.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.607 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.523 ' O ' ' HB ' ' A' ' 41' ' ' THR . 53.4 tpp -77.59 79.99 4.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 10.0 110.569 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 40' ' ' MET . 4.8 t 172.15 -20.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.139 -0.937 . . . . 10.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.45 128.94 35.01 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 143.8 57.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.042 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.65 -20.52 63.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.0 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 50.6 tptt -57.03 -42.07 79.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.887 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -69.18 -35.36 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.661 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.26 -39.32 68.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.665 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.41 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.181 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.47 -37.07 77.14 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.927 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -66.01 -36.92 84.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 10.0 110.714 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.88 -36.64 83.97 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.86 -39.52 94.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.246 0.546 . . . . 10.0 109.743 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.05 -32.83 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.092 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.41 -39.82 89.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.455 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.62 -34.73 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.05 36.46 4.44 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.789 -0.72 . . . . 10.0 112.424 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.91 156.2 74.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.24 162.24 39.44 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.391 2.061 . . . . 10.0 111.618 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ttt -72.81 157.36 37.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.66 -0.246 . . . . 10.0 110.967 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 80.22 -14.7 0.82 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.18 0.992 . . . . 10.0 111.6 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -71.51 -30.52 66.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.286 0.565 . . . . 10.0 109.897 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.7 mt -116.58 129.88 56.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 9.9 ptt180 -104.01 129.97 51.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.071 0.462 . . . . 10.0 110.261 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 91.0 m-85 -88.91 127.82 35.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.885 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.2 124.87 53.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.288 0.566 . . . . 10.0 111.173 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' HB3' HD11 ' A' ' 71' ' ' ILE . 73.1 t80 -142.81 132.57 23.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.948 -1.024 . . . . 10.0 108.367 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 64.54 18.0 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.298 0.57 . . . . 10.0 110.209 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.73 3.62 90.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.111 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -116.37 160.78 20.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 10.8 ptm180 -90.61 128.68 36.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.447 . . . . 10.0 110.292 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 66' ' ' PHE . 40.7 mm -65.89 119.83 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.138 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.47 165.57 23.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.442 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 13.2 m-20 -73.19 -21.84 60.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.164 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -96.07 3.24 53.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -76.32 144.18 40.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.45 . . . . 10.0 111.122 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.574 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -121.4 149.81 53.05 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.241 179.401 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.46 -14.1 40.26 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 122.671 2.247 . . . . 10.0 112.981 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.66 -29.87 65.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.523 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.4 pt-20 -100.96 -177.04 3.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt 73.12 -42.52 0.53 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.435 0.694 . . . . 10.0 111.625 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.01 46.12 0.84 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.376 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.7 mtt -80.96 123.68 28.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.826 0.346 . . . . 10.0 110.544 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 19.6 mt-10 -114.9 -177.63 3.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.074 0.464 . . . . 10.0 110.988 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -78.05 140.26 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 66.95 26.0 9.24 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.476 0.485 . . . . 10.0 110.404 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.5 t0 -73.64 162.12 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.743 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -114.27 123.75 70.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.066 0.46 . . . . 10.0 111.266 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.61 138.21 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.464 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.12 156.95 17.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 10.0 111.036 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.23 124.1 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.918 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.2 162.59 32.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -77.45 136.11 38.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.513 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 2.3 mm-40 -74.24 159.53 32.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.862 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.159 0.504 . . . . 10.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 p -71.37 -60.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.525 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.69 3.39 22.13 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.755 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.753 -1.026 . . . . 10.0 111.302 179.738 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.577 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.758 0.313 . . . . 10.0 110.157 . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -139.87 35.36 1.97 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.994 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mtt180 -115.27 96.45 5.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.251 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -106.24 124.5 35.62 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.957 0.408 . . . . 10.0 110.994 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.592 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.2 Cg_endo -79.59 111.37 2.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.116 2.544 . . . . 10.0 112.741 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 33.0 mt -102.56 119.41 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.71 112.65 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp -106.21 158.34 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.975 0.417 . . . . 10.0 111.182 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 4.4 m -115.66 149.75 37.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -113.5 154.52 26.92 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.95 142.01 38.77 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.456 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 C--O 1.249 1.069 0 C-N-CA 122.71 2.273 . . . . 10.0 111.704 179.566 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.1 mm -113.92 125.54 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -107.68 123.8 49.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.923 0.392 . . . . 10.0 110.57 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.8 mt -106.3 149.89 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.61 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -97.14 97.47 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.539 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.5 t -89.01 111.98 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 10.0 110.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mm -89.72 116.01 30.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.458 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.45 166.95 28.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.718 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.02 -21.38 66.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.167 0.508 . . . . 10.0 110.88 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -84.38 12.3 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.85 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.3 m 58.95 61.48 2.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.508 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -133.81 153.32 51.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.222 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 32.7 tt0 -109.45 89.3 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.9 mm -74.9 119.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.746 -0.465 . . . . 10.0 109.746 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 16.5 m170 -95.14 71.56 3.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.67 -179.029 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.72 119.56 21.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.354 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -91.82 113.08 25.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.39 158.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.578 . . . . 10.0 111.708 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -101.66 122.87 44.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.596 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' HB ' ' A' ' 41' ' ' THR . 56.4 tpp -74.03 89.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 10.0 111.104 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.612 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 167.67 -26.77 0.0 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.674 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 148.94 23.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -68.39 154.61 41.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.13 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 75' ' ' HIS . 61.6 mt -65.48 -12.39 52.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.241 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 35.4 tptt -53.92 -49.13 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.52 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.29 -31.38 71.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.313 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.4 mm? -75.4 -40.62 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 10.0 110.832 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.14 -44.31 92.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.701 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.2 pt-20 -66.94 -38.61 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.779 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -65.38 -34.5 78.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 10.0 110.741 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 64.5 t80 -62.79 -43.44 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.7 m -63.02 -42.89 99.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 97.1 mt-30 -61.31 -44.37 97.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.778 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -64.5 -43.17 94.95 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.5 mm100 -67.95 -37.42 81.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.798 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.51 6.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.03 -0.605 . . . . 10.0 111.822 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -126.58 157.34 71.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.69 156.72 60.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.243 1.962 . . . . 10.0 111.503 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.09 149.93 49.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.135 -0.226 . . . . 10.0 110.616 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 79.73 0.07 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.993 0.808 . . . . 10.0 112.241 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.1 p -82.19 -25.85 33.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.246 0.546 . . . . 10.0 110.023 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.8 mt -119.07 143.77 46.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.287 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.51 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.7 ptt-85 -116.09 136.95 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.933 0.397 . . . . 10.0 110.301 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' HD11 ' A' ' 88' ' ' ILE . 82.2 m-85 -94.31 125.26 38.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.874 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -109.38 117.44 34.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.036 0.446 . . . . 10.0 111.072 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 71' ' ' ILE . 66.9 t80 -127.64 122.62 33.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.475 -0.784 . . . . 10.0 108.943 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 65.14 17.77 11.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.0 110.278 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.47 -0.16 80.29 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.935 -0.65 . . . . 10.0 112.298 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -108.07 160.94 15.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -95.05 122.9 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 10.0 110.717 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 66' ' ' PHE . 43.1 mm -64.69 126.07 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.967 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.8 -176.05 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.386 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 4.3 m-20 -94.89 -12.68 26.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.899 0.38 . . . . 10.0 110.9 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -104.97 16.41 25.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -82.18 143.22 31.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.193 0.52 . . . . 10.0 111.307 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -119.3 143.99 35.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.021 178.807 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.68 -6.78 11.29 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.469 2.113 . . . . 10.0 112.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.81 -30.41 45.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 10.0 110.721 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.6 pt-20 -96.18 179.26 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 15.2 mt 73.39 -41.47 0.5 Allowed 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.627 0.579 . . . . 10.0 111.598 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.53 48.86 0.89 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.063 -0.589 . . . . 10.0 111.883 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.9 mtt -89.06 123.76 33.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 10.0 111.15 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 36.7 mt-10 -122.0 -175.74 3.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.254 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 21.4 tp10 -71.73 138.65 48.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.227 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 9.4 mm-40 69.93 24.49 5.17 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.569 0.543 . . . . 10.0 111.385 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -78.42 148.57 33.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.3 t -99.26 131.75 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 64' ' ' PHE . 20.9 tt -141.5 141.65 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.6 154.67 27.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.766 0.317 . . . . 10.0 111.29 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.029 0.442 . . . . 10.0 110.98 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -133.65 167.91 19.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.432 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.69 139.78 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 10.0 111.359 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.3 mm-40 -79.69 155.08 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.271 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -66.98 -31.73 72.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 10.0 111.295 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -70.22 -23.49 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.377 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.78 13.71 82.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.823 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.954 0 CA-C-O 118.793 -1.004 . . . . 10.0 110.989 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 357' ' ' ASN . . . . . 0.672 HD21 ' N ' ' B' ' 357' ' ' ASN . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.724 0.773 . . . . 10.0 110.405 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -111.86 18.65 18.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.92 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 359' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 5.2 ptp180 -118.9 135.59 54.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.116 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -128.2 112.62 19.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.187 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 361' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.5 Cg_endo -78.64 132.4 10.92 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.812 2.342 . . . . 10.0 113.346 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 10.4 mt -129.11 125.05 61.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.638 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.2 t -127.44 108.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.039 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 14.6 pt -92.71 -174.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 10.0 111.602 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.45 155.0 16.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.963 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -117.31 96.99 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.971 0.415 . . . . 10.0 110.217 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 1.2 m -128.97 106.18 18.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.96 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.893 2.395 . . . . 10.0 112.047 179.656 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.4 mm -122.94 117.18 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HZ2' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -90.36 110.89 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.859 0.362 . . . . 10.0 110.586 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.31 118.75 32.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -85.35 104.37 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.2 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 1.8 t -91.14 127.05 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.176 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 mm -83.66 106.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.51 155.06 46.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.995 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.42 -31.81 73.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 10.0 111.089 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -89.46 16.32 7.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.2 m 64.56 66.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -120.1 140.92 50.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.798 179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.727 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 14.7 mt-10 -94.22 76.46 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 10.0 110.331 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.456 HG21 ' HE1' ' A' ' 51' ' ' TYR . 28.6 mm -73.24 114.45 12.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.512 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.606 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.4 OUTLIER -99.93 93.82 5.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.804 -179.442 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.64 118.29 25.06 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.865 -0.334 . . . . 10.0 110.724 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -89.33 99.16 12.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 10.0 109.947 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.99 162.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.634 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.68 131.76 54.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.112 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.461 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.2 tpp -75.72 79.79 2.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 10.0 111.266 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 40' ' ' MET . 10.3 t 171.87 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.843 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 m -86.15 141.23 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.76 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -67.4 145.29 55.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.923 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.43 -12.55 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.779 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 51.5 tptt -57.09 -47.82 80.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.905 0.384 . . . . 10.0 110.404 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 46' ' ' LYS . 29.9 tptt -69.07 -26.68 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.081 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.4 mm? -77.96 -41.89 34.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.552 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -61.06 -46.49 90.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.464 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.1 pt-20 -67.38 -42.84 82.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.335 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -59.58 -36.15 75.69 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.685 0.279 . . . . 10.0 111.241 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HE1' HG21 ' A' ' 34' ' ' ILE . 66.0 t80 -64.26 -44.8 90.63 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.03 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.534 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.4 mt-30 -61.98 -34.04 75.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.524 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -72.62 -39.9 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 10.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -78.55 -12.24 60.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 10.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.29 32.93 30.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.131 -0.557 . . . . 10.0 112.969 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.88 147.23 58.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 156.14 60.64 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.145 1.896 . . . . 10.0 111.076 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.53 154.6 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 81.88 -0.49 1.52 Allowed 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.96 0.788 . . . . 10.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.7 p -86.83 -32.98 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.114 0.483 . . . . 10.0 110.026 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 92' ' ' GLN . 78.1 mt -118.45 139.0 52.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.487 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.4 ptt-85 -107.55 130.0 54.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.28 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.443 ' HB3' HD11 ' A' ' 88' ' ' ILE . 87.8 m-85 -92.07 120.68 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.742 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -106.05 134.38 49.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.161 0.505 . . . . 10.0 111.251 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -140.59 111.36 6.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.739 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 66.43 28.13 9.69 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.644 0.59 . . . . 10.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.73 -33.38 5.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -83.87 162.95 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.623 0.249 . . . . 10.0 110.353 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -105.48 132.48 51.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.037 0.446 . . . . 10.0 110.6 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -64.79 125.88 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.569 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.67 173.01 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 11.6 m-20 -78.87 -10.57 59.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 10.0 111.464 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -107.91 17.06 22.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.26 146.24 23.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.289 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.539 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -125.58 147.49 58.39 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.108 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.04 -9.27 14.06 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.503 2.136 . . . . 10.0 113.042 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -73.4 -35.36 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.2 pt-20 -93.04 179.34 5.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.633 -0.258 . . . . 10.0 110.641 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 13.1 mt 72.41 -44.53 0.6 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.475 0.71 . . . . 10.0 111.486 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.21 39.99 0.84 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.413 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.9 mtt -73.04 137.68 45.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 10.0 110.643 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -133.42 178.76 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.033 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.97 138.16 57.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.611 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 59.3 39.24 22.69 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.584 0.553 . . . . 10.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t0 -78.09 163.35 25.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.997 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.05 128.02 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 10.0 111.324 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.4 tt -134.17 138.88 49.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.498 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.84 156.74 17.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.513 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.85 123.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.865 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.7 155.23 46.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.932 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.5 tt0 -78.08 140.87 39.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.893 0.378 . . . . 10.0 110.856 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.444 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -76.12 157.63 32.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.406 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.1 -26.01 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.114 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -78.33 -34.03 48.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.148 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.443 0 C-N-CA 120.795 -0.717 . . . . 10.0 111.596 -179.194 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.727 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 4.5 ptp180 . . . . . 0 N--CA 1.451 -0.418 0 CA-C-O 120.91 0.386 . . . . 10.0 111.018 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -132.0 115.78 15.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.794 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 61.1 Cg_endo -77.09 128.63 9.99 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.627 2.218 . . . . 10.0 112.647 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 9.8 mt -112.69 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 23.5 t -118.32 120.49 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.769 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 120.879 0.371 . . . . 10.0 110.681 179.993 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.3 mm -110.1 136.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 128.8 56.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 10.0 110.943 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.21 145.15 37.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.094 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 48.7 mtpt -95.39 107.35 19.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.755 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.68 119.99 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.747 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.54 112.39 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.935 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.91 174.82 37.86 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.913 -0.661 . . . . 10.0 111.686 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -66.82 -24.51 66.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.964 0.412 . . . . 10.0 110.971 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.29 9.35 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.836 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 50.52 3.7 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.452 0.644 . . . . 10.0 110.706 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -97.41 167.05 11.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.448 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 33.9 mt-10 -128.95 60.0 1.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 30.3 mm -55.3 137.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.791 -178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.632 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.1 OUTLIER -104.27 84.88 2.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.258 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -83.18 116.36 22.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.778 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -89.17 106.24 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -95.56 153.26 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.581 0.705 . . . . 10.0 111.998 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -89.6 110.68 21.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.192 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 2.2 tpt -73.88 73.91 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.201 0.524 . . . . 10.0 111.347 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.5 t 174.41 -18.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.981 -1.009 . . . . 10.0 109.904 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -104.82 151.01 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.623 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -69.44 155.43 40.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.914 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -72.9 -1.52 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.264 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 46.3 tptt -56.52 -55.66 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.602 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 33.3 tptt -66.85 -35.1 79.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.634 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.38 -42.86 96.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.683 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.94 -52.41 63.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.024 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' OE1' ' HE3' ' A' ' 45' ' ' LYS . 7.3 pt-20 -67.38 -35.29 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.984 0.364 . . . . 10.0 111.984 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.5 m -62.61 -39.59 94.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 10.0 110.63 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.47 -37.15 84.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.796 0.332 . . . . 10.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.06 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -64.53 -34.68 78.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -27.22 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.569 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -91.52 -11.11 38.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.54 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.23 11.61 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.231 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -141.42 153.85 66.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.3 173.66 11.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.269 1.98 . . . . 10.0 111.507 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 7.6 ttt -78.57 154.53 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.246 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 59' ' ' MET . 4.0 m120 77.51 4.88 3.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.949 0.781 . . . . 10.0 111.685 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.0 p -85.92 -41.01 15.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.465 0.65 . . . . 10.0 109.552 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.2 mt -110.16 134.72 51.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.542 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -103.96 132.78 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.361 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 88' ' ' ILE . 58.8 m-85 -92.62 126.0 37.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.893 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.97 125.87 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.21 0.529 . . . . 10.0 111.503 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -132.62 120.83 22.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.02 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.65 23.19 13.8 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.501 0.5 . . . . 10.0 111.035 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.54 -21.12 42.66 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -92.78 164.41 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -99.37 142.61 30.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.03 0.443 . . . . 10.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.86 124.57 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.001 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 167.56 15.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.56 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.4 m-20 -73.53 -16.67 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.957 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -102.94 13.05 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.305 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -84.75 145.13 28.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.205 0.526 . . . . 10.0 111.492 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -122.55 144.8 43.19 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.519 179.359 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.89 -10.06 21.3 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.429 2.086 . . . . 10.0 112.388 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.59 -28.84 56.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.694 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.452 ' HG3' ' HG ' ' A' ' 80' ' ' LEU . 5.9 pt-20 -104.24 -172.21 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 74.1 mt 71.45 -57.06 0.62 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.196 0.598 . . . . 10.0 110.817 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.54 0.18 Allowed Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.7 mtt -92.25 129.95 38.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.049 0.452 . . . . 10.0 110.521 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.8 mt-10 -128.35 -178.71 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.95 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -68.85 139.35 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 27.0 mm-40 64.88 27.97 12.77 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.758 0.661 . . . . 10.0 111.334 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -72.08 156.38 39.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.557 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.62 121.61 58.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.111 0.481 . . . . 10.0 111.69 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.418 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.6 tt -132.48 133.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.349 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -105.63 154.39 20.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.949 0.404 . . . . 10.0 111.475 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.6 p -130.29 124.39 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.41 156.07 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.227 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -84.42 138.19 32.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.542 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.6 mm-40 -76.54 150.62 36.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.16 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -29.13 70.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.305 0.574 . . . . 10.0 109.901 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -17.8 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.53 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.265 179.923 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.448 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 50.7 mtp180 . . . . . 0 CA--C 1.52 -0.206 0 CA-C-O 120.605 0.241 . . . . 10.0 110.711 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.9 134.21 23.61 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.632 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -78.86 133.65 11.43 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.702 2.268 . . . . 10.0 113.442 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.65 131.23 67.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.185 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.99 137.67 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 7.6 pt . . . . . 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.341 . . . . 10.0 110.953 -179.59 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.22 124.62 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 2.6 ttpm? -99.5 110.22 22.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.946 0.403 . . . . 10.0 110.999 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.55 131.77 44.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.994 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -90.16 105.05 17.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 3.0 t -86.07 114.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.648 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 32' ' ' SER . 26.1 mm -95.66 111.97 27.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.21 38.35 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.436 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.2 -27.17 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.979 0.419 . . . . 10.0 111.227 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.32 15.32 5.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.9 m 63.66 49.72 2.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.375 0.607 . . . . 10.0 110.973 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -98.58 158.47 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.071 179.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 11.4 tt0 -129.32 70.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 10.0 109.824 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 25.7 mm -71.95 131.5 34.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.516 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 46.2 m170 -96.97 95.82 8.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.357 0.599 . . . . 10.0 110.654 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 116.59 23.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.394 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -94.14 98.22 10.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -97.25 161.34 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.519 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -108.62 139.05 43.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.312 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.58 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.6 tpp -81.13 76.2 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.257 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.0 OUTLIER 170.73 -27.65 0.0 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.712 178.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.12 142.77 27.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.801 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.56 143.6 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.07 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.94 -11.42 38.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.7 tptt -58.02 -48.11 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.326 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -67.45 -29.01 68.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.677 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.2 -44.77 59.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.027 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.13 -48.68 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.679 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.631 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -63.02 -40.05 96.58 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.79 0.329 . . . . 10.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -63.77 -38.6 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 57.6 m -63.18 -46.86 85.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.146 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 78.4 mt-30 -59.66 -42.01 91.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.421 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.28 -41.11 98.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -81.91 -7.75 59.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.822 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.78 30.39 56.13 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.853 -0.689 . . . . 10.0 112.987 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 6.2 m -128.53 147.57 64.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.356 -0.238 . . . . 10.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.36 156.99 56.93 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.322 2.014 . . . . 10.0 111.317 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 9.0 ttt -69.51 153.83 42.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.78 -0.368 . . . . 10.0 110.397 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' MET . 3.6 m-20 77.1 8.08 2.93 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.812 0.695 . . . . 10.0 111.625 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.4 p -91.87 -26.94 18.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.486 0.66 . . . . 10.0 109.429 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -119.6 133.66 55.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.938 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.4 ptt-85 -104.35 129.02 52.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.018 0.437 . . . . 10.0 110.308 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.456 ' HB3' HD11 ' A' ' 88' ' ' ILE . 75.4 m-85 -92.43 120.63 33.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.51 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.7 mt -108.16 126.45 52.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.665 0.745 . . . . 10.0 111.754 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -130.16 115.28 16.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.827 -1.078 . . . . 10.0 108.902 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 63.34 29.62 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.746 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.58 -17.22 53.7 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 115.943 -0.572 . . . . 10.0 112.818 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -95.47 164.43 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.823 -0.222 . . . . 10.0 110.414 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -104.39 134.45 47.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 10.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.71 123.07 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.798 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.59 167.5 16.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.076 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.8 m-20 -79.23 7.18 8.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.273 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -130.22 16.94 5.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.747 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -91.32 160.48 15.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.273 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.531 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -139.46 153.83 71.03 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.945 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.55 -10.02 26.36 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.55 2.166 . . . . 10.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -77.41 -23.44 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.153 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -104.93 175.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.441 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt 70.8 -62.2 0.45 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.944 0.778 . . . . 10.0 111.228 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.82 64.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.15 -0.548 . . . . 10.0 112.137 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 36.4 mtt -94.45 131.12 40.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.742 0.306 . . . . 10.0 110.59 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.2 mm-40 -129.67 175.68 8.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 23.8 tp10 -72.45 136.87 46.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 23.9 mm-40 75.29 25.35 1.3 Allowed 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.01 0.819 . . . . 10.0 110.896 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -76.61 164.11 26.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.777 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.87 122.96 66.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.576 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 12.7 tt -130.71 121.89 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -95.38 154.35 17.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.87 0.367 . . . . 10.0 111.072 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.58 127.94 53.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.125 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -128.51 166.1 19.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.671 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -84.09 134.18 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.092 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.524 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -77.3 154.73 32.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.776 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.02 -27.65 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.64 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 p -67.73 -44.5 77.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.512 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.718 -179.289 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 85.3 mtt180 . . . . . 0 N--CA 1.456 -0.156 0 CA-C-O 120.908 0.385 . . . . 10.0 110.45 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -92.89 122.92 62.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -84.7 106.74 1.09 Allowed 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.86 2.373 . . . . 10.0 112.257 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.0 mt -101.86 120.02 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 10.0 111.821 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.2 137.92 52.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 3.2 pt . . . . . 0 C--N 1.326 -0.454 0 CA-C-O 121.081 0.467 . . . . 10.0 111.892 -179.087 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -105.19 140.91 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.77 103.1 11.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.144 0.497 . . . . 10.0 110.555 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -88.03 158.45 18.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.979 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -109.97 99.86 8.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -91.26 113.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mm -92.2 109.48 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.624 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.38 169.12 54.26 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.056 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.65 -26.14 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.039 0.447 . . . . 10.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -85.78 13.59 7.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.899 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m 62.86 52.61 2.64 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.635 -0.711 . . . . 10.0 112.507 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.01 154.76 22.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.494 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 8.7 tt0 -115.24 84.2 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.312 0.577 . . . . 10.0 110.003 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 43.8 mm -77.49 118.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.119 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.585 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 41.1 m170 -96.42 76.83 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.427 0.632 . . . . 10.0 110.111 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.56 117.46 15.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.589 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.79 102.02 11.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -96.44 163.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.755 . . . . 10.0 111.418 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -112.39 128.98 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.474 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -78.43 77.16 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.195 0.521 . . . . 10.0 110.729 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 174.81 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.496 179.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -90.87 148.58 22.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.261 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.585 ' HA ' HG23 ' A' ' 76' ' ' THR . 48.2 m80 -68.98 154.28 42.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.273 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.87 -13.32 62.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 49.2 tptt -56.11 -47.18 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.177 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 46' ' ' LYS . 23.2 tptt -67.07 -25.72 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.216 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.2 mm? -81.2 -43.24 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 10.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.01 -42.92 99.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.353 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.4 pt-20 -67.06 -44.94 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.772 -0.195 . . . . 10.0 111.096 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.4 m -61.67 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.391 . . . . 10.0 111.124 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.42 -46.02 74.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.517 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.86 -41.58 98.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.421 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 94.1 mt-30 -63.94 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -72.8 -43.47 62.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.584 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.45 -31.54 71.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.12 28.34 7.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 10.0 112.3 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -132.02 150.48 76.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.15 164.95 20.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.491 2.127 . . . . 10.0 111.158 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.7 ttt -73.73 158.69 34.17 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.582 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 77.73 4.14 2.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 10.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.9 p -84.73 -35.47 22.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.337 0.589 . . . . 10.0 110.026 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.16 141.84 45.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.066 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.9 ptt-85 -107.38 125.69 51.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.522 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 88' ' ' ILE . 71.8 m-85 -90.05 116.48 28.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.581 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.79 132.36 51.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.073 0.463 . . . . 10.0 110.967 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -139.32 117.36 11.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.59 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 63.36 25.18 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.49 -43.72 1.64 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.48 177.45 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -112.83 141.97 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 10.0 110.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -73.36 124.51 30.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.347 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -78.94 160.62 27.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.869 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.7 m-20 -67.33 -38.24 84.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.599 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -85.2 6.9 23.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -72.77 154.72 40.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.187 0.517 . . . . 10.0 110.99 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -133.45 146.23 59.79 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.447 ' HD2' HG22 ' A' ' 76' ' ' THR . 32.1 Cg_exo -62.51 -8.78 13.71 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.365 2.043 . . . . 10.0 112.573 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -69.01 -30.46 68.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.346 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 7.2 pt-20 -108.73 176.33 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 77.1 mt 73.76 -23.53 0.22 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.229 0.612 . . . . 10.0 111.414 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.89 40.55 6.2 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.893 -0.67 . . . . 10.0 113.084 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 mtt -75.17 116.12 15.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 52.1 mt-10 -115.0 -176.92 3.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 10.0 111.756 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.24 140.28 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.798 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 64.77 29.92 12.52 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.422 0.451 . . . . 10.0 110.949 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -81.56 148.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.81 122.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.048 0.452 . . . . 10.0 112.056 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' A' ' 64' ' ' PHE . 14.0 tt -129.74 135.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.29 157.12 17.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.058 0.456 . . . . 10.0 111.606 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.26 123.75 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.945 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -136.48 159.15 42.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.347 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.65 140.14 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 10.0 111.077 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.405 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -79.39 163.05 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -69.26 -24.27 63.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.493 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.66 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.252 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.484 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.274 -179.634 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.573 0.225 . . . . 10.0 110.673 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -137.68 93.89 12.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.327 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 6.8 Cg_exo -76.09 131.85 13.46 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.275 2.65 . . . . 10.0 112.656 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.0 139.03 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.1 t -111.4 130.92 64.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.252 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.601 -179.46 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 18.6 m-85 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.2 mm -97.81 125.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 5.3 ttpm? -104.33 117.38 34.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.96 0.41 . . . . 10.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.29 138.89 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.688 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 21.4 mtpt -94.93 106.0 17.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.714 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.3 t -95.42 122.5 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.72 112.72 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.646 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.61 159.97 37.16 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.501 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -68.87 -14.48 63.06 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.224 0.535 . . . . 10.0 110.628 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -95.77 9.27 41.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.75 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 m 66.64 51.51 1.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.818 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -118.46 142.11 47.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.013 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 6.1 mt-10 -88.74 85.96 6.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.7 mm -81.6 104.93 10.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 23.9 m170 -91.15 85.12 5.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.271 0.558 . . . . 10.0 110.431 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.61 116.41 21.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.964 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.24 115.84 27.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 7.7 m -105.34 161.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 10.0 112.048 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.06 117.46 34.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.768 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.0 tpp -72.82 79.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.076 0.465 . . . . 10.0 111.161 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 175.43 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.372 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -94.11 146.76 23.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.895 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.57 154.45 38.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.121 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.27 -4.73 27.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.061 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 36.7 tptt -57.96 -53.92 52.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.196 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -64.16 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.723 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.1 mm? -66.21 -41.93 89.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.94 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.09 -45.69 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.817 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.08 -35.09 73.95 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.941 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.8 m -64.77 -37.1 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 10.0 110.413 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.046 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -59.93 -45.41 92.67 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.991 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.55 -37.93 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.781 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -64.35 -34.45 78.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -87.29 -12.04 47.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.838 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.97 27.15 51.2 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.176 -0.535 . . . . 10.0 112.602 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.86 155.76 72.41 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.52 166.72 27.61 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.007 1.804 . . . . 10.0 111.793 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.0 ttt -75.96 156.65 33.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.758 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.7 t30 74.76 4.0 4.29 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.919 0.762 . . . . 10.0 111.693 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -90.79 -17.43 26.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.266 0.555 . . . . 10.0 109.907 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.439 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.9 ptt-85 -103.03 127.83 50.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.177 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HB3' HD11 ' A' ' 88' ' ' ILE . 91.8 m-85 -94.92 111.53 23.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.445 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.6 mt -102.51 121.0 41.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.203 0.525 . . . . 10.0 111.596 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -123.36 108.23 12.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.027 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 65.96 21.47 11.33 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.92 -20.36 48.16 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.783 -0.723 . . . . 10.0 112.474 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -91.09 155.67 18.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.24 -0.281 . . . . 10.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -98.19 129.81 44.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.22 0.533 . . . . 10.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.7 118.57 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.452 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -83.77 172.35 12.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.576 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.6 m-20 -74.87 -24.89 58.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.621 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.83 20.68 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.464 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -88.59 148.65 23.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.791 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -123.32 146.54 49.73 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.434 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.0 -13.61 40.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.425 2.083 . . . . 10.0 112.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -73.9 -36.38 64.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.0 pt-20 -83.82 174.37 10.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.542 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 91.8 mt 71.65 -53.09 0.69 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.404 0.681 . . . . 10.0 111.257 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.4 56.45 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.3 mtt -82.0 131.26 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.5 mm-40 -123.15 179.78 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.136 0.493 . . . . 10.0 111.463 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 19.3 tp10 -74.14 140.97 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.392 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 67.35 23.59 9.19 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.576 0.548 . . . . 10.0 110.359 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -71.22 159.63 34.29 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.553 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -114.19 130.63 68.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.146 0.498 . . . . 10.0 111.62 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.1 tt -136.83 141.21 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.45 149.08 26.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.922 0.391 . . . . 10.0 111.749 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -129.59 122.92 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.494 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -128.08 159.83 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.608 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -79.14 126.47 30.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.233 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -72.98 148.04 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -65.57 -17.37 64.53 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.118 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.94 -26.81 64.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.793 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.112 -179.799 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.237 0.44 0 CA-C-O 120.649 0.262 . . . . 10.0 110.604 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -129.46 110.5 17.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.129 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.2 Cg_endo -80.04 124.47 5.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.823 2.348 . . . . 10.0 111.457 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.1 mt -120.12 122.95 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 28.5 t -108.34 120.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.131 -0.692 . . . . 10.0 109.131 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.9 pt . . . . . 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 10.0 111.325 -179.403 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mm -83.38 129.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.8 ttpm? -100.0 112.61 24.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.273 0.558 . . . . 10.0 111.167 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.2 mt -100.96 143.4 31.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.208 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -96.92 108.26 20.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.741 0.305 . . . . 10.0 110.503 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.437 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.2 t -89.95 121.75 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -103.07 120.53 53.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.682 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.35 176.27 35.37 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.363 -0.695 . . . . 10.0 111.363 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.68 -20.09 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.015 0.436 . . . . 10.0 111.058 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.57 5.78 30.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m 63.67 72.29 0.47 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.7 179.46 4.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.924 -1.035 . . . . 10.0 110.322 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 1.0 OUTLIER -138.22 53.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.437 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.8 mm -63.61 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -109.36 99.83 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.501 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.42 113.93 26.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.396 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HD2' HG22 ' B' ' 363' ' ' VAL . 86.4 mttt -89.05 102.42 15.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.044 0.449 . . . . 10.0 109.821 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.6 m -98.78 167.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.809 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -103.43 124.25 48.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.283 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB ' ' A' ' 41' ' ' THR . 54.6 tpp -80.65 74.77 7.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.19 0.519 . . . . 10.0 110.764 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.524 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.7 t 174.79 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.794 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -93.46 151.69 19.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.874 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.454 ' HA ' HG22 ' A' ' 76' ' ' THR . 59.8 m80 -63.3 149.03 46.66 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.021 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 47' ' ' LEU . 47.8 mt -68.89 -6.98 30.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.751 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.1 tptt -56.37 -52.36 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.22 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -66.7 -29.69 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.042 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.5 mm? -74.01 -44.47 54.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.436 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -60.15 -47.63 85.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.508 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.97 -39.16 93.07 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.154 -0.218 . . . . 10.0 110.961 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.3 m -63.07 -37.58 87.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.625 0.25 . . . . 10.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.3 t80 -65.75 -39.96 91.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.0 m -62.83 -43.1 99.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.75 -38.79 92.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -61.32 -40.33 93.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.562 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.1 mm100 -78.33 -26.21 46.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 10.0 110.58 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.17 34.07 7.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.932 -0.651 . . . . 10.0 112.046 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.68 156.29 80.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.58 163.77 35.58 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.2 1.934 . . . . 10.0 111.124 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttt -75.94 157.04 33.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 10.0 110.816 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 71.45 19.47 5.18 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.656 0.782 . . . . 10.0 111.596 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.3 p -97.95 -35.54 10.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.9 mt -111.84 143.63 42.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.848 -1.069 . . . . 10.0 109.959 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.531 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.9 ptt180 -110.33 127.72 55.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -91.76 119.96 32.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.905 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -110.27 118.62 36.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.257 0.551 . . . . 10.0 111.372 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -119.21 111.76 18.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 62.7 26.79 15.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.2 0.524 . . . . 10.0 110.155 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.5 -26.03 19.91 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.973 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -85.43 138.45 32.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.669 0.271 . . . . 10.0 110.797 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -81.89 129.7 34.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.079 0.466 . . . . 10.0 110.137 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.43 123.24 22.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.701 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 166.44 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.834 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.9 m-20 -72.87 -27.57 61.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.911 0.386 . . . . 10.0 110.963 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -92.41 11.91 24.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.464 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -84.41 151.29 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.823 0.344 . . . . 10.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 43' ' ' HIS . 70.9 p -126.25 158.02 68.08 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.992 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.9 -14.36 38.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.467 2.111 . . . . 10.0 112.101 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.79 -43.78 65.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.4 pt-20 -82.11 172.53 13.09 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 mt 74.25 -47.16 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.107 0.563 . . . . 10.0 110.364 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.64 46.56 0.9 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.165 -0.541 . . . . 10.0 112.659 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.7 mtt -75.92 113.18 13.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.718 0.294 . . . . 10.0 110.644 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 31.6 mm-40 -109.06 175.49 5.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.703 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.531 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 15.7 tp10 -70.0 143.18 52.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 67.4 22.54 9.4 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.479 0.487 . . . . 10.0 111.299 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -77.85 159.74 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.361 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -109.13 130.68 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.14 0.495 . . . . 10.0 112.206 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 18.6 tt -133.87 135.88 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -105.33 152.7 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 10.0 111.617 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.36 124.4 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.657 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -130.59 169.08 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.891 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.91 141.49 28.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.662 0.268 . . . . 10.0 110.692 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.0 mm-40 -77.95 161.98 27.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.149 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -68.16 -21.91 64.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.087 0.47 . . . . 10.0 110.582 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -32.51 60.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.225 0 C-N-CA 121.077 -0.583 . . . . 10.0 112.523 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 8.5 ptp180 . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.898 0.38 . . . . 10.0 110.824 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 26.0 t0 -137.53 112.15 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.174 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 360' ' ' ASP . 4.1 Cg_exo -73.98 105.22 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.979 2.453 . . . . 10.0 112.725 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 48.1 mt -96.61 120.3 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 37' ' ' LYS . 3.3 t -123.16 131.23 73.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.245 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.565 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.739 0.304 . . . . 10.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -100.92 132.85 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.072 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 9.5 ttpp -114.38 99.48 7.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 10.0 110.661 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.41 155.4 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.937 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 50.9 mtpt -109.48 108.79 19.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -95.19 114.33 31.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -84.21 113.43 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.978 0.418 . . . . 10.0 110.52 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.77 169.13 42.32 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.446 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.38 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.029 0.443 . . . . 10.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.49 21.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.475 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 60.61 36.61 19.69 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.911 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.4 157.6 16.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.051 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' B' ' 359' ' ' ARG . 28.6 mt-10 -119.74 75.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.9 mm -66.81 124.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.758 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 4.4 m170 -97.65 84.26 3.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.414 0.626 . . . . 10.0 110.096 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -79.26 114.02 17.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.332 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -88.29 109.58 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -105.15 164.65 3.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.815 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -105.92 118.63 37.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.6 tpp -74.07 78.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.333 0.587 . . . . 10.0 110.769 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.2 t 175.74 -25.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.544 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -94.76 143.17 26.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.333 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.93 153.56 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.666 0.27 . . . . 10.0 110.617 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.35 -8.51 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.714 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 27.1 tptt -58.78 -52.61 64.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 10.0 110.399 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -68.0 -32.04 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.436 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.07 -46.12 78.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.6 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.847 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 pt-20 -68.08 -35.37 78.08 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.807 -0.357 . . . . 10.0 111.309 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.7 m -65.69 -36.65 84.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.911 0.386 . . . . 10.0 110.447 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.87 -36.37 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.049 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -63.35 -44.62 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.057 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 74.7 mt-30 -62.22 -34.78 77.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.511 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HG2' HD13 ' B' ' 362' ' ' ILE . 22.4 tpt180 -66.8 -42.19 86.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.809 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -78.91 -12.15 60.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.217 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.89 30.62 42.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.394 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.79 153.9 81.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 122.85 -0.206 . . . . 10.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.76 165.63 31.47 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.281 1.987 . . . . 10.0 111.113 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 17.2 ttt -76.09 160.55 29.67 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.307 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 59' ' ' MET . 6.1 m-20 74.66 9.66 4.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.208 0.603 . . . . 10.0 111.604 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 p -92.66 -38.25 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.172 0.51 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 92' ' ' GLN . 39.6 mt -113.51 148.37 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.714 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 18.7 ptt-85 -110.18 133.59 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.407 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.66 118.74 32.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.52 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 54.6 mt -106.82 130.47 54.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.109 0.481 . . . . 10.0 111.028 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -137.65 115.28 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.904 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 61.8 30.2 18.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.049 0.452 . . . . 10.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.07 -24.83 16.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.553 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -88.55 164.6 15.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -107.16 132.7 52.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.893 0.378 . . . . 10.0 110.331 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.89 122.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.389 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 174.71 11.3 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 m-20 -82.25 -15.41 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.019 0.437 . . . . 10.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -109.27 20.78 17.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 148.05 25.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.436 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 142.05 31.61 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.409 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.98 -15.81 29.31 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.65 2.233 . . . . 10.0 113.002 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -79.5 -21.41 45.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 10.0 110.403 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.51 168.06 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.703 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 71.82 -50.22 0.69 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.717 0.636 . . . . 10.0 111.145 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.86 57.99 0.25 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.559 -0.616 . . . . 10.0 111.559 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.3 mtt -84.63 122.77 29.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 10.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -115.24 -175.67 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.9 142.98 39.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 19.5 mm-40 60.85 33.29 20.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.02 0.438 . . . . 10.0 110.754 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.41 158.43 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.215 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.48 130.7 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.134 0.492 . . . . 10.0 111.95 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 tt -134.13 133.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 1.7 mt-10 -100.44 151.93 20.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.978 0.418 . . . . 10.0 111.339 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.23 118.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.67 165.0 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.416 ' HA ' HD23 ' A' ' 62' ' ' LEU . 17.9 tt0 -76.39 134.42 39.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.982 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.5 mm-40 -76.57 165.1 25.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.353 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.82 -36.34 83.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.488 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 p -65.84 -48.64 70.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.7 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.813 179.584 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 33' ' ' GLU . 28.8 mtt180 . . . . . 0 C--O 1.234 0.27 0 CA-C-O 121.179 0.514 . . . . 10.0 111.131 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -128.33 111.19 19.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.234 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 62.4 Cg_endo -76.31 134.82 16.07 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.973 2.448 . . . . 10.0 112.481 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 54' ' ' ARG . 25.4 mt -135.6 125.77 42.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 14.1 t -108.3 134.13 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.248 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 10.9 pt . . . . . 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.457 . . . . 10.0 111.63 -179.724 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.502 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 16.2 mm -84.45 130.67 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.368 . . . . 10.0 110.476 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . 5.0 mtpm? -103.76 111.22 23.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.7 130.27 45.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.726 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -91.48 113.88 26.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 10.0 111.131 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.448 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.0 t -98.58 118.41 45.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.327 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.9 mm -95.57 119.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.836 0.35 . . . . 10.0 111.119 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.62 165.57 26.02 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.747 -0.74 . . . . 10.0 111.649 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 10.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.54 13.39 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.624 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m 66.19 40.0 4.01 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.44 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.87 154.58 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.096 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 37.5 mt-10 -125.51 69.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.976 -0.749 . . . . 10.0 108.976 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.448 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 35.9 mm -67.85 135.45 28.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.696 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.8 OUTLIER -110.57 94.17 4.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.132 0.492 . . . . 10.0 110.013 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.54 113.66 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.221 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -86.02 99.14 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.502 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 17.0 m -97.99 159.39 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.505 0.669 . . . . 10.0 112.337 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' HG22 ' A' ' 41' ' ' THR . 86.3 tttt -102.63 118.35 36.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.801 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.545 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.0 tpp -76.51 84.41 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 10.0 111.651 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.0 t 171.11 -36.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.84 178.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -87.28 143.88 27.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.274 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -61.72 152.5 30.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.599 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 75' ' ' HIS . 6.4 mt -65.13 -8.43 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.646 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 39.9 tptt -56.52 -48.32 77.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.113 0.482 . . . . 10.0 110.06 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -69.79 -31.96 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.852 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 44' ' ' LEU . 3.1 mm? -70.49 -44.99 66.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.18 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -60.08 -46.81 88.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.219 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.88 -37.74 84.96 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.275 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.0 m -63.0 -38.46 91.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.729 0.3 . . . . 10.0 110.959 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -67.59 -40.64 84.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.728 0.299 . . . . 10.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 60.9 m -61.92 -45.83 92.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 10.0 110.104 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -68.47 -25.42 64.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.632 ' HG2' HD13 ' B' ' 362' ' ' ILE . 21.9 tpt180 -70.32 -41.67 72.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -74.87 -26.53 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.398 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.97 29.41 8.59 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.915 -0.659 . . . . 10.0 111.877 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.43 154.48 79.26 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.99 169.31 15.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.342 2.028 . . . . 10.0 111.479 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -80.46 158.27 25.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.893 -0.323 . . . . 10.0 110.456 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 74.25 9.39 4.5 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.798 0.687 . . . . 10.0 111.387 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -90.59 -40.77 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.473 0.654 . . . . 10.0 109.61 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 mt -107.02 138.76 42.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.3 ptt-85 -102.15 126.98 49.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -91.34 117.92 30.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.284 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.56 131.0 55.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.182 0.515 . . . . 10.0 111.3 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -136.29 114.48 11.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.21 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 61.8 31.16 18.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.365 0.602 . . . . 10.0 110.699 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.55 -25.77 12.29 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.693 -0.685 . . . . 10.0 113.182 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -85.13 152.06 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.673 0.273 . . . . 10.0 110.979 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -93.76 128.08 39.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.158 0.504 . . . . 10.0 109.932 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.7 mm -68.92 121.65 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.99 176.0 8.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.0 m-20 -84.2 -12.51 54.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.467 0.651 . . . . 10.0 110.06 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -105.4 27.35 8.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.547 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.433 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.42 138.75 33.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.83 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.63 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.4 139.47 25.39 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.74 -7.8 8.13 Favored 'Trans proline' 0 N--CA 1.477 0.554 0 C-N-CA 122.657 2.238 . . . . 10.0 113.426 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -85.63 -16.79 38.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.331 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.2 pt-20 -103.32 176.01 5.29 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.939 -0.305 . . . . 10.0 110.642 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -63.35 0.43 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.844 0.715 . . . . 10.0 110.336 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.16 59.79 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.056 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -96.99 128.53 44.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.691 0.281 . . . . 10.0 110.373 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.2 mm-40 -132.75 179.09 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.788 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE2' ' HB2' ' A' ' 23' ' ' LYS . 52.1 tp10 -65.06 137.04 57.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.657 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 65.7 36.77 6.12 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.713 0.633 . . . . 10.0 111.416 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -84.52 171.4 12.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.143 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.57 125.46 73.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.896 0.379 . . . . 10.0 111.323 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.2 tt -128.11 136.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.514 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -102.47 151.97 21.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.874 0.369 . . . . 10.0 111.103 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -140.22 123.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.929 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.15 160.93 36.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.51 133.35 33.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.948 0.404 . . . . 10.0 110.697 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.478 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.7 mm-40 -73.38 155.35 39.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.382 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.42 -17.52 64.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -18.06 60.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.488 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.462 -179.98 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 91.9 mtt180 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.762 0.315 . . . . 10.0 111.455 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -159.16 112.14 1.56 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.358 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.3 Cg_endo -82.1 115.84 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.443 2.095 . . . . 10.0 112.075 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . 0.632 HD13 ' HG2' ' A' ' 54' ' ' ARG . 24.2 mt -107.73 123.49 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.38 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.61 131.58 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 10.0 111.975 -179.019 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -95.89 126.54 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.446 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.4 ttpm? -108.45 106.52 16.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.62 137.74 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.077 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -97.97 111.17 23.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.823 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -92.57 119.94 41.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.654 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mm -95.49 113.08 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.48 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.47 170.8 41.05 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.056 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -63.78 -21.73 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 10.0 111.007 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -91.78 12.23 22.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.794 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 m 65.97 49.95 1.54 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.47 167.34 12.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.418 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.545 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 15.5 tt0 -133.01 65.66 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.429 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.0 mm -68.03 134.75 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.033 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 30.6 m170 -104.17 102.45 12.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.607 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.66 114.34 26.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -89.82 102.79 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.2 160.48 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.024 0.44 . . . . 10.0 111.357 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -108.4 139.89 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.224 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.2 tpp -81.21 79.77 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 40' ' ' MET . 13.7 t 169.54 -20.49 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 148.18 22.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.761 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -72.51 148.52 44.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HA ' HD23 ' A' ' 47' ' ' LEU . 86.7 mt -73.6 -3.83 30.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.135 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 15.7 tttp -57.8 -53.48 57.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.373 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -64.0 -32.68 74.3 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.45 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.9 mm? -64.99 -39.71 93.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.134 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.58 -50.67 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.754 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -69.31 -36.46 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.459 -179.029 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.1 m -62.41 -40.94 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.793 0.33 . . . . 10.0 110.716 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -65.9 -37.78 87.0 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.17 -42.96 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.0 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.69 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.063 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -60.32 -40.97 92.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.351 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.26 -24.7 29.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.624 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.5 41.85 4.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.211 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -131.71 155.35 81.53 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.08 167.14 18.79 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.307 2.005 . . . . 10.0 112.218 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.91 136.69 56.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.253 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.36 24.61 8.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.257 -0.883 . . . . 10.0 112.781 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -83.89 -29.51 27.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.47 0.652 . . . . 10.0 109.715 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.6 mt -115.84 138.87 50.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.173 -0.922 . . . . 10.0 110.457 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -100.92 126.25 47.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.838 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HB3' HD11 ' A' ' 88' ' ' ILE . 84.5 m-85 -91.71 116.08 28.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' GLN . 79.1 mt -103.03 118.52 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.29 0.567 . . . . 10.0 111.3 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -123.8 112.4 17.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.349 -0.841 . . . . 10.0 108.888 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 62.86 33.17 15.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.194 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.33 -17.42 51.99 Favored Glycine 0 CA--C 1.52 0.363 0 CA-C-N 115.943 -0.571 . . . . 10.0 113.473 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 19.0 mt-30 -98.21 161.5 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.607 -0.349 . . . . 10.0 110.691 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 129.97 50.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.5 mm -60.34 126.62 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 10.0 112.187 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.05 163.81 14.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.094 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -68.98 -32.96 72.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.939 0.4 . . . . 10.0 111.54 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -90.54 4.28 51.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.265 -0.272 . . . . 10.0 111.551 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.48 144.08 48.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.213 0.53 . . . . 10.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 42.0 p -118.79 158.68 46.94 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.317 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 11.7 Cg_exo -70.91 -9.43 25.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.145 1.897 . . . . 10.0 111.849 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -78.03 -40.59 38.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.922 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 9.3 pt-20 -81.61 167.72 18.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 4.0 mt 73.35 -54.49 0.69 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.766 0.666 . . . . 10.0 111.268 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.05 79.39 0.68 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.992 -0.623 . . . . 10.0 111.736 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -115.51 122.56 46.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.588 0.232 . . . . 10.0 110.478 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.4 mm-40 -124.86 -176.69 3.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 10.0 111.031 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 3.9 tp10 -68.5 145.45 54.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.1 mm-40 67.95 21.84 8.78 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.461 0.475 . . . . 10.0 111.612 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -79.03 160.34 27.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.77 135.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.051 0.453 . . . . 10.0 111.842 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 64' ' ' PHE . 19.7 tt -135.33 141.21 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.344 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.93 148.93 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.828 0.347 . . . . 10.0 111.28 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.95 122.66 54.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.187 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -132.8 157.38 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.849 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.98 142.86 31.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.62 0.248 . . . . 10.0 110.764 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.11 155.23 32.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.983 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -21.21 62.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.067 0.461 . . . . 10.0 110.332 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -5.86 52.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.42 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.472 179.811 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.5 ptp85 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 121.146 0.498 . . . . 10.0 111.922 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -119.02 113.87 35.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.378 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.1 Cg_endo -79.93 123.45 5.19 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.659 2.24 . . . . 10.0 113.41 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.23 122.93 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.716 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.69 119.37 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.218 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.112 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.71 0.291 . . . . 10.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.9 mm -122.7 121.41 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.97 96.39 7.0 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.109 0.481 . . . . 10.0 111.181 -178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.0 mt -83.22 150.66 26.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -107.36 104.14 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.17 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.1 t -89.55 123.0 41.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.323 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mm -91.51 114.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.714 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.74 169.23 50.37 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.839 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.99 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 10.0 111.196 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.48 18.48 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m 63.62 49.85 2.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.074 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 158.61 15.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.045 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.616 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.4 tt0 -117.54 77.78 1.17 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.49 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 28.5 mm -74.77 127.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.329 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.557 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 27.5 m170 -99.58 87.46 3.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.22 0.533 . . . . 10.0 110.196 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.01 108.91 15.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.329 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -85.92 97.42 10.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -95.27 162.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.567 . . . . 10.0 111.687 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -105.52 120.52 41.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.469 ' O ' ' HB ' ' A' ' 41' ' ' THR . 59.0 tpp -70.56 83.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 10.0 111.258 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.5 t 170.21 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.63 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -81.66 138.25 35.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.574 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 145.69 55.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.99 -17.1 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.638 0.256 . . . . 10.0 111.157 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -54.88 -45.23 74.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 10.0 109.938 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -70.34 -36.93 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.975 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 47' ' ' LEU . 3.2 mm? -68.25 -41.35 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.123 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -59.79 -47.5 85.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.574 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.3 pt-20 -69.96 -39.52 75.94 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.966 -0.294 . . . . 10.0 111.454 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -59.44 -37.81 79.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.879 0.371 . . . . 10.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.31 -40.78 81.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.139 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.7 m -61.5 -41.83 97.89 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.265 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.2 mt-30 -60.84 -41.53 95.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.906 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -30.69 68.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.346 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -79.94 -27.97 39.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 10.0 110.957 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.35 18.68 30.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.316 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.0 m -122.07 153.5 61.08 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.51 164.78 31.51 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.48 2.12 . . . . 10.0 111.348 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.4 ttt -73.41 159.95 32.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.738 -0.385 . . . . 10.0 110.501 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t30 70.3 20.41 6.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 p -102.82 -43.9 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 10.0 110.215 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -103.47 137.49 41.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.0 ptt-85 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 10.0 109.914 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HB3' HD11 ' A' ' 88' ' ' ILE . 86.8 m-85 -91.5 118.44 30.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.064 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.0 mt -100.46 125.83 46.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.255 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -126.99 98.24 5.25 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.176 -0.92 . . . . 10.0 109.259 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 63.18 24.42 14.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.772 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -26.97 17.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.777 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -87.32 145.57 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.634 0.254 . . . . 10.0 110.634 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -94.79 117.9 30.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 10.0 110.063 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -56.82 126.74 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.191 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.05 168.7 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.874 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.87 -20.63 45.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.119 0.485 . . . . 10.0 110.714 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -92.54 4.51 53.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.919 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -82.62 151.44 26.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.899 0.381 . . . . 10.0 111.099 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.96 150.2 68.42 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.649 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.81 -8.67 16.29 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 122.693 2.262 . . . . 10.0 113.335 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -78.29 -20.86 50.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 10.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.8 pt-20 -110.43 -179.4 3.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.235 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.98 -10.07 0.79 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.172 0.589 . . . . 10.0 112.105 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.76 53.48 3.99 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.9 mtt -92.68 123.54 36.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.816 0.341 . . . . 10.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 5.1 mm-40 -127.49 178.53 6.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 27.4 tp10 -70.17 135.38 49.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.424 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 13.0 mm-40 76.5 17.8 1.86 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.785 0.678 . . . . 10.0 111.402 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -72.97 143.17 47.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.952 0.406 . . . . 10.0 110.109 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -95.33 131.89 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.759 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 7.3 tt -136.02 124.95 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.365 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.22 155.26 16.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.772 0.32 . . . . 10.0 111.071 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.09 126.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.123 0.487 . . . . 10.0 110.631 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.77 158.12 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.68 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -87.71 137.9 31.93 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.727 -0.389 . . . . 10.0 111.083 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.2 mm-40 -71.46 164.26 26.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.09 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 10.0 110.523 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -34.61 77.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.419 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.45 179.803 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.616 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.4 ptp180 . . . . . 0 N--CA 1.45 -0.45 0 CA-C-O 121.02 0.438 . . . . 10.0 111.655 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -148.73 106.99 3.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.75 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.557 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 3.9 Cg_exo -79.55 135.45 11.71 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.034 2.489 . . . . 10.0 113.438 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.66 138.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.519 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 1.7 t -119.95 152.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt . . . . . 0 C--N 1.327 -0.37 0 CA-C-O 121.219 0.533 . . . . 10.0 111.792 -179.259 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 38' ' ' VAL . 51.0 mm -69.41 117.48 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -107.6 115.9 30.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.657 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.47 133.91 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.848 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -97.89 102.93 14.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.319 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -85.74 111.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.087 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' SER . 32.9 mm -91.1 117.32 34.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.001 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.99 162.96 32.95 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.533 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -67.73 -16.25 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.69 0.281 . . . . 10.0 111.373 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -92.69 21.23 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 10.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m 65.05 41.92 4.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.995 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 2.8 p -101.88 145.81 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.489 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 20.9 tt0 -119.49 80.99 1.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.24 0.543 . . . . 10.0 109.563 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.2 mm -74.68 126.38 35.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.693 -178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 18.3 m170 -98.89 87.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.278 0.561 . . . . 10.0 110.024 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -86.61 113.26 22.35 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.61 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.0 113.95 25.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.903 0.383 . . . . 10.0 109.978 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 22' ' ' ILE . 5.5 m -103.54 159.77 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.342 0.591 . . . . 10.0 111.471 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -95.19 122.12 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.187 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.572 ' O ' ' HB ' ' A' ' 41' ' ' THR . 6.7 tpt -73.5 74.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.283 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.7 t 168.06 -24.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.284 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.8 m -89.14 142.3 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.971 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . 0.579 ' HA ' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -63.64 144.0 57.37 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.248 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.86 -9.68 46.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.465 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 32.2 tptt -59.43 -45.75 90.67 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 177.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -66.66 -39.58 88.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.943 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.0 mm? -63.24 -47.26 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.6 -50.4 73.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.307 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 25.1 pt-20 -67.23 -36.5 81.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.807 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -70.63 -33.23 70.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 10.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -66.68 -39.25 88.05 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.17 -40.5 90.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.831 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 76.3 mt-30 -63.96 -36.83 85.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.477 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HG2' HD13 ' B' ' 362' ' ' ILE . 15.7 tpt85 -64.1 -36.61 84.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.44 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -79.63 -18.9 50.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.449 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.3 27.73 24.57 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.434 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.47 156.84 79.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.835 0.317 . . . . 10.0 110.546 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.73 167.61 26.06 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.288 1.992 . . . . 10.0 111.669 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 19.9 ttt -75.09 162.77 28.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' MET . 5.1 m-20 72.47 15.55 5.09 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.245 0.618 . . . . 10.0 111.558 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 p -99.15 -45.43 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.623 . . . . 10.0 109.649 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 mt -108.3 142.83 38.02 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.158 -0.928 . . . . 10.0 110.744 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.5 ptt-85 -111.85 132.49 54.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -95.22 121.76 37.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.129 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -106.64 121.67 44.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.058 0.456 . . . . 10.0 111.131 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -127.93 117.75 22.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.096 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 65.18 19.55 11.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 123.431 0.457 . . . . 10.0 111.645 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.39 -22.68 38.87 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.198 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.12 169.97 9.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.489 0.185 . . . . 10.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.82 134.25 49.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -65.35 119.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.182 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.52 167.09 22.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.722 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.6 m-20 -74.78 -27.92 60.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.026 0.441 . . . . 10.0 110.77 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.31 25.1 6.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.622 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 154.1 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.022 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -139.56 153.35 70.36 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.665 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . 0.557 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 20.9 Cg_exo -65.55 -8.62 19.71 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.395 2.063 . . . . 10.0 111.869 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -73.56 -17.54 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.792 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 76' ' ' THR . 4.6 pt-20 -118.82 175.91 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.48 -60.89 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.796 0.685 . . . . 10.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.37 76.15 0.19 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.087 -0.578 . . . . 10.0 111.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 62.2 mtt -110.98 120.04 41.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 40.2 mt-10 -118.23 -172.87 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 10.0 111.244 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.72 141.01 48.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.695 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 66.56 23.44 10.4 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.672 0.608 . . . . 10.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -75.93 133.42 40.5 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.63 133.02 32.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.234 0.54 . . . . 10.0 111.983 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 20.4 tt -133.91 146.84 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 10.0 108.294 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.96 156.9 22.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.817 0.342 . . . . 10.0 111.49 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.38 131.48 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.532 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -134.78 173.54 11.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.976 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.01 140.21 32.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.698 0.285 . . . . 10.0 110.768 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 mm-40 -73.04 155.08 40.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.023 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.91 -30.89 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 10.0 111.42 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -9.41 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.842 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.203 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.397 -179.863 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.1 ptp180 . . . . . 0 C--O 1.233 0.223 0 CA-C-O 120.656 0.265 . . . . 10.0 111.308 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -143.07 118.33 6.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.194 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.55 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 69.0 Cg_endo -78.23 128.07 8.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.688 2.259 . . . . 10.0 113.03 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . 0.52 HD13 ' HG2' ' A' ' 54' ' ' ARG . 12.7 mt -128.79 134.15 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.11 150.64 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 2.2 pt . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 10.0 111.299 -179.825 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.181 -0.303 . . . . 10.0 110.181 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.8 mm -90.08 123.83 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -105.13 119.85 40.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.046 0.451 . . . . 10.0 110.796 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.3 mt -103.04 142.47 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.279 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -100.24 103.42 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.448 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.474 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.3 t -87.14 112.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.9 mm -94.05 116.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.977 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.9 169.7 37.08 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.034 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -64.2 -26.8 68.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.967 0.413 . . . . 10.0 111.089 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.1 20.91 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 m 56.72 55.18 6.53 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.444 0.64 . . . . 10.0 111.78 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -111.05 138.93 46.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.645 178.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 29.5 tt0 -109.09 87.49 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.271 0.558 . . . . 10.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.6 mm -78.71 122.91 34.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.015 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 19.4 m170 -97.77 86.43 3.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.45 119.33 26.6 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.801 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -88.31 104.63 16.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ILE . 6.1 m -99.17 163.22 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.6 0.714 . . . . 10.0 112.112 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.71 123.94 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.871 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 tpt -79.37 63.27 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.131 0.491 . . . . 10.0 110.877 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -176.84 -29.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -89.05 148.39 23.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.811 0.338 . . . . 10.0 110.69 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -66.03 154.16 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.425 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HA ' HD23 ' A' ' 47' ' ' LEU . 29.7 mt -66.55 -10.37 44.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.488 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -57.47 -45.73 84.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 10.0 109.958 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -65.88 -33.62 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.117 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mm? -76.4 -45.42 31.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.277 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -65.29 -39.6 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.556 0.217 . . . . 10.0 111.429 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' HG21 ' B' ' 364' ' ' ILE . 17.5 m -71.22 -33.24 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.667 0.27 . . . . 10.0 111.237 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.87 -38.49 91.27 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 60.2 m -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.081 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.63 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.252 0.549 . . . . 10.0 110.133 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.73 -40.65 95.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.612 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.53 -29.49 63.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.895 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.41 28.68 10.24 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.066 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 m -136.28 153.22 76.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.45 161.98 29.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.28 1.987 . . . . 10.0 111.987 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.526 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 18.4 ttt -70.84 153.52 42.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.652 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 59' ' ' MET . 1.8 m-20 81.3 -9.0 1.33 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.931 0.892 . . . . 10.0 111.884 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 m -75.41 -28.06 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.221 0.534 . . . . 10.0 109.934 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.0 mt -113.04 135.84 53.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.222 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.5 ptt-85 -102.9 132.97 48.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.151 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 46.4 m-85 -95.33 117.13 29.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.895 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.84 118.34 36.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.175 0.512 . . . . 10.0 110.775 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -136.93 123.78 21.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 63.71 17.92 10.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.403 0.439 . . . . 10.0 110.853 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.94 -8.34 80.01 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.108 -0.567 . . . . 10.0 111.997 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -100.81 165.97 11.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.361 . . . . 10.0 110.57 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -95.59 122.26 38.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.632 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 64' ' ' PHE . 32.9 mm -68.37 116.6 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.028 0.442 . . . . 10.0 110.778 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.33 162.23 18.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.85 -22.34 64.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.697 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -93.52 5.1 52.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.174 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.19 149.76 27.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 10.0 111.025 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -123.5 143.14 40.73 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.763 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -13.69 28.68 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.587 2.191 . . . . 10.0 113.043 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -22.34 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.289 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -106.19 179.3 4.31 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 54.7 mt 71.08 -61.86 0.47 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.751 0.657 . . . . 10.0 111.064 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.79 72.18 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.389 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.1 mtt -116.88 123.51 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 26.1 mt-10 -130.1 -171.05 2.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.237 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.407 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.7 tp10 -73.73 144.76 45.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.74 30.24 16.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.933 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -80.24 154.11 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.426 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.37 132.03 59.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.7 tt -136.99 142.29 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.17 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.56 153.03 24.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.982 0.42 . . . . 10.0 111.046 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.31 134.1 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.124 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -137.95 171.39 14.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.616 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -88.62 136.86 32.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.799 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.404 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 9.2 mm-40 -77.93 151.26 33.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.17 -36.56 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.606 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -69.08 -27.51 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.039 0.447 . . . . 10.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.501 0 C-N-CA 120.722 -0.751 . . . . 10.0 111.326 -178.795 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 31.8 mtp180 . . . . . 0 CA--C 1.519 -0.226 0 CA-C-O 120.558 0.218 . . . . 10.0 110.673 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -128.7 108.54 18.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.978 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.9 Cg_exo -77.31 124.93 7.43 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.877 2.385 . . . . 10.0 112.156 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.08 130.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.788 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 12.5 t -130.04 129.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 50' ' ' SER . 1.1 pt . . . . . 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 10.0 111.238 -179.503 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.22 117.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.3 ttpm? -104.5 117.17 33.49 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.882 0.373 . . . . 10.0 110.788 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.7 mt -103.76 136.22 43.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.731 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG2' ' NE2' ' A' ' 35' ' ' HIS . 8.1 mttm -90.76 109.94 21.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.255 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.05 112.55 29.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.342 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -81.41 119.85 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -91.53 169.16 32.58 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 10.0 112.682 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -65.71 -32.06 73.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 10.0 111.454 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.75 29.75 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.395 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m 63.09 30.74 16.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.694 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -85.39 158.09 20.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.664 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -133.88 75.8 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.87 130.34 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.009 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.7 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.8 m170 -104.66 98.25 8.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.106 0.479 . . . . 10.0 110.981 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.62 122.07 32.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.102 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -94.88 100.89 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.04 167.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.102 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -112.05 133.17 54.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.555 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.3 tpp -74.95 83.94 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.474 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 171.1 -26.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.94 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -93.36 145.0 24.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -70.01 150.56 46.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.097 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.2 mt -66.85 -9.61 39.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.988 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 9.8 tptt -52.96 -53.13 54.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.841 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.342 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 47' ' ' LEU . 2.8 mm? -70.85 -41.96 70.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.074 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.8 -44.68 96.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.591 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.67 -35.42 72.83 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.763 -0.375 . . . . 10.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.2 m -64.96 -36.8 85.57 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.857 0.361 . . . . 10.0 110.418 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -65.36 -39.35 92.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.104 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.9 m -59.56 -41.98 91.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.183 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.56 -39.09 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -65.91 -29.84 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.298 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.95 -11.86 46.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.96 65.78 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 113.03 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 m -131.92 152.01 79.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.81 165.06 29.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.271 1.981 . . . . 10.0 111.995 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 8.4 ttt -70.99 165.95 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 10.0 111.474 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 59' ' ' MET . 2.2 m120 74.97 0.91 3.66 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.421 -0.808 . . . . 10.0 112.075 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.5 p -87.96 -43.8 11.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.302 0.573 . . . . 10.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.2 mt -103.06 138.46 39.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.143 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.413 ' HD3' ' NH1' ' A' ' 70' ' ' ARG . 13.9 ptt-85 -107.89 137.19 46.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.311 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.7 120.5 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.345 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -112.06 107.03 15.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.072 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -114.55 117.06 29.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.343 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 64.17 19.62 11.85 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.13 0.49 . . . . 10.0 110.379 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.27 -8.33 79.43 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.002 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.44 147.67 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH1' ' HD3' ' A' ' 63' ' ' ARG . 3.7 mmm180 -83.3 108.48 16.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.735 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 mm -60.82 118.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.192 0.52 . . . . 10.0 111.91 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.0 169.02 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.3 m-20 -73.92 -34.67 64.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.011 0.434 . . . . 10.0 111.394 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.2 7.25 22.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.687 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -79.38 143.75 34.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.033 0.445 . . . . 10.0 111.035 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.2 146.28 44.09 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.154 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.25 -11.78 27.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.448 2.099 . . . . 10.0 112.015 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.65 -37.5 82.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.572 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 1.1 pt-20 -97.72 -177.07 3.66 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 25.2 mt 71.18 -60.53 0.51 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.529 0.518 . . . . 10.0 110.695 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.51 64.54 0.12 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.095 -0.574 . . . . 10.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.1 mtt -99.63 126.8 45.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.53 -173.4 3.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.68 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 8.7 tp10 -77.0 145.35 38.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.055 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 66.73 23.19 10.21 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.747 0.655 . . . . 10.0 111.611 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.55 163.94 24.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.72 134.89 62.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.012 0.434 . . . . 10.0 111.55 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -134.19 134.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -98.06 145.92 26.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.951 0.405 . . . . 10.0 111.735 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.6 p -131.54 131.4 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.794 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -138.07 163.74 30.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.875 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -85.35 135.29 33.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.875 0.369 . . . . 10.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.23 154.9 41.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.746 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.803 . . . . 10.0 111.411 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.16 -23.24 57.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 10.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.586 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.229 -179.623 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 . . . . . 0 C--O 1.236 0.36 0 CA-C-O 120.516 0.198 . . . . 10.0 110.729 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 6.1 p-10 -139.13 141.4 29.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.265 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.7 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 9.5 Cg_endo -88.94 133.77 2.53 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.081 2.521 . . . . 10.0 113.12 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.43 126.3 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.676 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 6.8 t -124.33 126.12 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 6.2 pt . . . . . 0 C--N 1.327 -0.374 0 CA-C-O 120.65 0.262 . . . . 10.0 110.826 179.751 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.387 -0.227 . . . . 10.0 110.387 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -105.65 127.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -99.39 110.0 22.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.093 0.473 . . . . 10.0 111.974 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -101.19 133.7 45.34 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -100.33 113.27 25.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.156 0.503 . . . . 10.0 111.44 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.431 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.9 t -96.64 118.52 43.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.66 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -88.43 106.81 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.89 0.376 . . . . 10.0 110.238 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.22 178.37 41.24 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 10.0 112.547 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -65.01 -28.88 69.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.807 0.337 . . . . 10.0 111.33 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.66 11.1 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.7 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m 62.8 54.68 2.23 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.543 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -98.28 160.3 14.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.073 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 17.0 mt-10 -104.08 73.15 1.12 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.957 0.408 . . . . 10.0 109.929 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.431 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 36.4 mm -74.9 108.88 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.053 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.623 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.7 OUTLIER -91.62 98.03 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.073 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.436 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -86.46 113.52 22.47 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.481 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -85.45 92.27 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.4 m -96.07 164.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.309 0.576 . . . . 10.0 111.809 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -108.1 128.16 54.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.161 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.496 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -75.69 84.37 2.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.237 0.541 . . . . 10.0 111.307 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 40' ' ' MET . 14.9 t 169.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.068 -0.969 . . . . 10.0 109.806 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.21 144.39 28.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.547 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 146.72 53.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.662 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.25 -17.34 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 48.8 tptt -51.91 -51.0 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.785 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -65.42 -36.56 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.292 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.436 HD12 ' CE1' ' A' ' 36' ' ' PHE . 2.6 mm? -68.85 -39.13 80.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 10.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -46.21 78.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.691 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 11.7 pt-20 -66.94 -37.51 84.43 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.238 -0.185 . . . . 10.0 110.872 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 m -64.21 -37.33 87.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.893 0.378 . . . . 10.0 110.599 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.62 -42.9 98.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.974 0.416 . . . . 10.0 110.076 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.4 m -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.2 mt-30 -61.79 -40.28 94.66 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.767 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -64.97 -39.26 93.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -77.46 -15.13 59.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.148 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.89 30.43 38.86 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.642 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.29 155.43 81.51 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -71.99 163.81 37.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.396 2.064 . . . . 10.0 111.513 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -72.71 157.79 36.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 79.31 -15.34 0.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 10.0 111.562 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.2 -32.03 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.42 0.628 . . . . 10.0 110.066 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.24 146.26 35.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.964 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -116.03 126.75 54.21 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.315 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -90.67 121.9 32.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.915 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.8 mt -109.42 127.78 54.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.112 0.482 . . . . 10.0 110.827 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -135.23 113.97 11.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.771 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 63.79 14.11 8.0 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.453 0.471 . . . . 10.0 111.898 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.95 -16.34 43.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.228 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -97.44 159.21 15.06 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -98.32 133.41 42.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 10.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.38 118.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.398 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.87 173.21 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -81.62 -27.49 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.529 . . . . 10.0 110.358 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -99.08 22.57 10.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.657 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -76.22 140.71 41.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.934 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -115.71 140.96 26.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.208 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.3 -5.76 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.455 2.103 . . . . 10.0 112.792 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -89.77 -15.24 32.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 10.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.3 pt-20 -99.47 165.18 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.301 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 70.91 -66.76 0.28 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.409 0.684 . . . . 10.0 110.64 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.57 76.79 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.5 mtt -111.28 121.6 45.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -128.37 -173.47 2.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 10.0 111.123 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -69.78 137.91 52.29 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.271 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 65.22 23.12 12.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.881 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.79 154.62 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.96 126.43 61.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.4 tt -131.34 143.3 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.086 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -112.15 157.01 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.775 0.322 . . . . 10.0 111.293 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.32 129.88 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.295 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -137.36 170.75 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.435 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.67 139.77 30.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.7 168.45 19.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.015 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -64.29 -36.16 83.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 111.488 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.7 p -75.56 -27.68 58.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 10.0 111.184 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.575 -179.298 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 97.3 mtt180 . . . . . 0 N--CA 1.455 -0.178 0 CA-C-O 120.618 0.247 . . . . 10.0 110.444 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.09 104.48 16.69 Favored Pre-proline 0 C--N 1.322 -0.628 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.328 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.623 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.7 Cg_exo -70.82 109.85 2.62 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.838 2.359 . . . . 10.0 112.314 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.87 126.26 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.9 t -125.22 128.13 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.268 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.141 179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.164 -0.31 . . . . 10.0 110.164 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.3 mm -98.67 136.45 29.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.546 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -105.99 117.93 35.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.018 0.437 . . . . 10.0 111.078 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.22 125.12 46.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 17.4 mtpt -87.97 107.1 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.179 0.514 . . . . 10.0 110.857 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.28 121.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.784 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 mm -94.33 110.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.915 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.32 162.63 38.49 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.715 -0.755 . . . . 10.0 111.416 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.64 -9.9 58.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.014 0.435 . . . . 10.0 110.865 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.72 8.34 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.926 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 69.18 61.38 0.31 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.853 0.721 . . . . 10.0 110.658 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -118.13 164.78 14.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 24.3 mt-10 -132.65 74.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 27.1 mm -67.42 133.34 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.872 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.722 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.2 OUTLIER -106.28 80.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . 0.431 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -79.33 120.15 23.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.79 0.329 . . . . 10.0 110.466 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -93.26 105.11 17.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.51 159.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.341 0.591 . . . . 10.0 112.407 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -96.3 129.11 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.145 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.511 ' O ' ' HB ' ' A' ' 41' ' ' THR . 50.9 tpp -77.91 74.23 4.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.1 t 170.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.773 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -77.6 138.74 39.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.28 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -65.78 145.12 56.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 71' ' ' ILE . 70.3 mt -63.73 -8.62 10.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.391 . . . . 10.0 112.036 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 49.9 tptt -58.5 -44.23 89.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.52 -22.7 60.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.078 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 36' ' ' PHE . 3.3 mm? -82.46 -43.76 16.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.577 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -61.41 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.571 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.7 pt-20 -65.59 -39.8 92.0 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.707 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.73 -37.59 87.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.105 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.5 m -62.31 -43.2 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.78 -40.71 98.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.187 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.63 81.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 10.0 110.781 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -79.35 -10.47 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.82 33.66 29.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.031 -0.604 . . . . 10.0 112.737 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.32 157.96 76.3 Favored Pre-proline 0 C--N 1.323 -0.574 0 O-C-N 122.718 -0.283 . . . . 10.0 110.63 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.86 166.73 28.66 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.319 2.013 . . . . 10.0 110.774 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 10.8 ttt -76.37 157.97 31.87 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.655 -0.418 . . . . 10.0 110.542 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 59' ' ' MET . 8.4 m120 74.37 11.51 4.1 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.653 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -89.53 -38.05 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.88 134.62 52.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.876 -1.056 . . . . 10.0 110.208 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.9 ptt-85 -101.71 132.92 47.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.325 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 51.8 m-85 -91.85 112.74 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.772 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.74 114.25 28.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.201 0.524 . . . . 10.0 111.017 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -115.33 99.79 7.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.214 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 65.54 29.33 11.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.874 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.26 -27.55 17.99 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.793 -0.639 . . . . 10.0 112.274 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -85.72 128.32 34.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.639 0.257 . . . . 10.0 110.807 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 8.7 ptm180 -81.07 121.59 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 10.0 109.967 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.447 HG21 HD13 ' A' ' 44' ' ' LEU . 42.2 mm -65.05 127.98 26.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.584 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.95 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.02 -35.46 69.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.158 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.67 29.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.467 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -103.11 150.48 23.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.847 0.356 . . . . 10.0 110.63 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -126.09 150.25 68.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.142 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -66.77 -4.31 10.93 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.643 2.229 . . . . 10.0 112.793 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -80.62 -22.83 40.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.681 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' THR . 6.8 pt-20 -107.34 -178.53 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.267 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mt 73.18 -42.22 0.52 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.492 0.717 . . . . 10.0 111.546 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.93 34.97 1.18 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.012 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.8 mtt -75.67 127.81 33.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.719 0.295 . . . . 10.0 110.538 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.0 mm-40 -124.24 178.69 5.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.087 0.47 . . . . 10.0 111.31 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.93 136.42 50.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.257 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 65.88 31.77 9.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.025 0.44 . . . . 10.0 111.234 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.8 t0 -76.51 168.93 19.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.209 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.38 125.86 74.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 10.0 111.262 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -133.33 141.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.8 155.41 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.93 0.395 . . . . 10.0 111.482 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.85 125.23 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.333 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -134.65 163.19 30.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.425 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.73 138.67 31.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.699 -0.4 . . . . 10.0 110.365 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -77.15 159.64 29.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.577 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.0 -24.06 65.99 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.179 0.514 . . . . 10.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -20.57 62.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.875 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 C-N-CA 121.233 -0.508 . . . . 10.0 112.607 179.711 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.8 mpt_? . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.664 0.269 . . . . 10.0 110.795 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -147.29 105.6 3.81 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.087 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.722 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.2 Cg_endo -73.02 123.77 9.12 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.701 2.267 . . . . 10.0 112.809 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.93 126.69 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.15 132.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 C--N 1.328 -0.368 0 N-CA-C 110.426 -0.213 . . . . 10.0 110.426 179.888 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.52 117.61 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -101.7 114.32 28.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.108 0.48 . . . . 10.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -101.11 134.81 43.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.826 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -90.19 106.23 18.34 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.7 t -90.97 115.48 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.269 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -89.52 118.7 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 169.31 38.0 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.147 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -64.73 -25.36 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.815 0.34 . . . . 10.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.45 17.03 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.262 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m 67.43 32.37 5.83 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.424 0.453 . . . . 10.0 111.407 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 p -84.76 152.53 23.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.757 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.3 tt0 -115.61 72.74 0.81 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.069 0.461 . . . . 10.0 109.868 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 51.7 mm -72.34 133.42 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.854 0.359 . . . . 10.0 111.023 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 29.6 m170 -103.79 92.25 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 10.0 110.666 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.73 113.44 22.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -93.55 111.8 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 10.0 110.512 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.36 171.76 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -117.19 137.71 52.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.4 tpp -73.3 79.17 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.472 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.5 OUTLIER 173.38 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.571 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -79.98 136.41 36.61 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.117 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 143.02 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.042 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.27 -9.56 33.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.497 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 39.0 tptt -56.65 -52.25 65.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.113 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.7 -30.58 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.03 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.8 mm? -68.76 -45.57 71.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.108 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -62.1 -47.46 84.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.928 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.1 pt-20 -64.96 -42.35 94.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -65.61 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.613 0.244 . . . . 10.0 110.98 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.68 -38.54 77.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 10.0 110.016 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.7 m -60.27 -41.29 92.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.954 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.58 -37.01 86.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.531 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HG2' HD13 ' B' ' 362' ' ' ILE . 13.6 tpt180 -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -87.96 -4.97 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.12 35.08 61.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.209 -0.52 . . . . 10.0 112.954 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -131.66 158.29 75.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 122.853 -0.204 . . . . 10.0 110.499 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.21 167.46 26.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.184 1.922 . . . . 10.0 110.998 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 20.5 ttt -75.29 154.24 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.679 -0.409 . . . . 10.0 110.115 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 59' ' ' MET . 12.6 m120 76.85 4.36 3.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.364 0.666 . . . . 10.0 111.716 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 p -82.86 -41.52 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.357 0.599 . . . . 10.0 109.566 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.61 141.75 41.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.429 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.529 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.0 ptt180 -113.8 133.05 55.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.036 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 88' ' ' ILE . 95.9 m-85 -91.77 121.09 33.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.962 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -106.09 118.62 37.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.166 0.507 . . . . 10.0 110.447 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -126.44 119.58 27.58 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 64.65 20.31 12.1 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.582 0.552 . . . . 10.0 110.699 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.61 -14.83 64.4 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -96.52 155.69 16.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.746 0.308 . . . . 10.0 110.474 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -91.53 124.76 35.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.026 0.441 . . . . 10.0 109.912 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.11 120.01 9.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.748 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.92 166.68 20.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.261 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.8 -13.95 60.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.985 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -104.53 11.78 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -84.85 150.63 24.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 10.0 111.267 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 p -126.85 154.73 76.1 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.878 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.47 -15.75 51.03 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.269 1.979 . . . . 10.0 111.645 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.39 -37.56 71.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.7 pt-20 -91.03 174.36 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.4 mt 73.11 -47.79 0.67 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.144 0.578 . . . . 10.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.76 55.81 0.45 Allowed Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.505 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.0 mtt -85.25 128.56 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.1 mm-40 -127.48 -176.3 3.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.294 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -75.7 146.69 39.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.808 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 64.19 24.47 13.41 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.568 0.543 . . . . 10.0 110.527 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -75.72 168.01 20.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.521 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.84 128.71 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.115 0.483 . . . . 10.0 111.134 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.7 tt -133.66 129.94 55.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -95.91 150.05 20.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 10.0 111.37 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.64 126.31 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.207 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -135.57 162.94 31.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.168 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -81.09 140.32 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.005 0.431 . . . . 10.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.529 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.1 mm-40 -77.18 155.23 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.237 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.4 -32.78 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.81 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -25.35 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.829 0.347 . . . . 10.0 111.627 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.599 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.757 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.3 ptp180 . . . . . 0 N--CA 1.449 -0.484 0 CA-C-O 121.065 0.459 . . . . 10.0 110.865 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -120.51 114.32 33.07 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 74.1 Cg_endo -79.66 121.83 4.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.686 2.257 . . . . 10.0 112.891 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . 0.406 HD13 ' HG2' ' A' ' 54' ' ' ARG . 21.4 mt -115.64 121.36 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.727 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 13.7 t -117.98 127.51 75.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pt . . . . . 0 C--N 1.325 -0.496 0 CA-C-O 120.803 0.335 . . . . 10.0 110.848 -179.865 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.5 mm -81.56 128.79 38.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 4.6 ttpm? -108.07 122.95 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.057 0.456 . . . . 10.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.3 mt -103.92 143.0 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.773 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -102.5 109.99 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.828 0.347 . . . . 10.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -91.46 125.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -87.67 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.219 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.33 152.03 25.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.622 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.95 -31.49 72.7 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.992 0.425 . . . . 10.0 111.024 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.79 7.71 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.646 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 m 68.64 68.67 0.3 Allowed 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.516 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.27 152.85 51.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.852 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 60.4 tt0 -107.32 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 10.0 109.809 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.473 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.5 mm -79.02 117.17 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.7 m170 -95.15 80.4 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.903 0.382 . . . . 10.0 110.946 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.74 114.86 20.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -88.25 110.76 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.995 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.91 165.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.189 0.518 . . . . 10.0 111.347 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HG2' HG22 ' A' ' 41' ' ' THR . 82.8 tttt -113.45 122.18 46.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.191 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.557 ' O ' ' HB ' ' A' ' 41' ' ' THR . 62.2 tpp -72.56 81.81 1.1 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.978 0.418 . . . . 10.0 110.977 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.1 t 168.06 -28.08 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.458 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -91.11 138.76 31.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.214 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.58 149.12 50.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.523 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.65 -8.25 26.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.331 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 34.7 tptt -54.28 -51.61 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.417 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -69.58 -32.42 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.041 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.7 mm? -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.811 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.3 -46.77 88.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.562 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 5.7 pt-20 -70.37 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.26 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.2 m -63.27 -34.83 78.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 10.0 110.491 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -66.76 -36.18 81.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.2 m -65.18 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.9 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 84.4 mt-30 -69.32 -38.17 78.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.123 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -64.66 -39.02 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -80.22 -29.35 38.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.661 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.75 39.27 6.26 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.175 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -135.51 158.92 73.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.567 -0.16 . . . . 10.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.32 164.57 30.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 10.0 111.816 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.9 ttt -75.7 155.02 36.08 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.138 -0.225 . . . . 10.0 110.557 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 t30 75.36 3.85 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.402 0.681 . . . . 10.0 111.634 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 p -83.36 -28.21 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 10.0 109.697 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 mt -121.28 141.48 50.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.369 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 25.8 ptt-85 -106.14 131.87 52.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.059 0.457 . . . . 10.0 109.886 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -93.29 116.38 28.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.366 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.45 130.73 46.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.195 0.522 . . . . 10.0 111.481 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -146.31 121.99 10.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.91 . . . . 10.0 109.387 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.5 24.34 14.03 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.54 0.525 . . . . 10.0 111.009 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.9 -23.41 29.09 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 121.069 -0.586 . . . . 10.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -96.07 175.26 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.18 134.17 52.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.079 0.466 . . . . 10.0 110.49 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.0 mm -63.5 122.26 14.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.843 . . . . 10.0 111.536 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.83 163.18 21.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.23 -18.08 61.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.043 0.449 . . . . 10.0 110.554 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -102.95 19.9 18.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -93.53 148.96 21.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.143 0.497 . . . . 10.0 111.235 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.583 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.89 147.26 58.27 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.806 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.18 -9.6 17.89 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.751 2.3 . . . . 10.0 112.792 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -77.31 -23.74 50.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.7 pt-20 -104.35 177.42 4.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt 72.23 -52.13 0.7 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.873 0.733 . . . . 10.0 111.612 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.74 65.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.023 -0.608 . . . . 10.0 111.748 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.5 mtt -98.23 127.35 44.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.042 0.448 . . . . 10.0 110.919 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -125.35 175.46 7.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.7 tp10 -69.87 139.76 53.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.377 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 65.64 34.84 7.4 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.46 0.475 . . . . 10.0 110.932 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.13 153.68 25.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.587 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.46 127.06 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.086 0.469 . . . . 10.0 111.599 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 tt -132.42 140.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.396 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.93 155.98 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.964 0.411 . . . . 10.0 111.464 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.37 123.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.254 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.0 159.99 35.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.183 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.69 138.15 38.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 10.0 111.615 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.6 mm-40 -78.06 154.12 31.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.618 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -73.28 -14.62 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.051 0.453 . . . . 10.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.9 p -78.96 -32.84 45.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.793 -179.315 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.2 ptp180 . . . . . 0 N--CA 1.455 -0.19 0 CA-C-O 120.516 0.198 . . . . 10.0 110.739 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . 0.481 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 8.9 p-10 -137.32 121.25 11.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.866 0.365 . . . . 10.0 111.162 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.596 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.5 Cg_exo -77.24 114.01 3.68 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.88 2.387 . . . . 10.0 111.78 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.2 mt -99.58 119.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.142 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 24.9 t -117.87 126.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 17.2 pt . . . . . 0 C--N 1.324 -0.523 0 CA-C-O 120.798 0.333 . . . . 10.0 111.124 -179.685 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.439 ' HB ' HG22 ' A' ' 38' ' ' VAL . 26.7 mm -122.86 111.47 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.2 ttpm? -91.58 105.04 17.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.084 0.469 . . . . 10.0 110.986 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.7 mt -93.23 128.76 39.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.083 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -92.56 104.07 16.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.84 0.352 . . . . 10.0 110.35 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.6 t -90.93 124.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -84.88 116.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.407 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -85.92 159.85 33.27 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.127 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.34 -28.5 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.932 0.345 . . . . 10.0 111.932 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -91.29 26.86 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m 62.16 40.54 11.66 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.291 0.567 . . . . 10.0 110.304 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . 0.407 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.5 p -100.32 150.76 22.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 12.7 mt-10 -117.7 90.47 3.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.201 0.524 . . . . 10.0 109.89 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mm -81.63 104.37 10.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.402 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.642 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 28.0 m170 -87.84 77.79 8.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.381 0.61 . . . . 10.0 110.537 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.55 116.87 16.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HG22 ' B' ' 363' ' ' VAL . 11.4 ttmt -91.7 104.08 16.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 10.0 109.809 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 22' ' ' ILE . 6.4 m -90.53 163.61 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.482 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -105.46 127.6 53.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.121 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.542 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.7 tpp -76.07 84.4 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.707 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.0 t 170.05 -27.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.49 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.95 150.2 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.897 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -69.99 150.57 46.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.53 -8.15 24.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.29 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 53.5 tptt -57.61 -47.98 80.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 10.0 110.233 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -67.46 -26.27 66.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.0 mm? -80.03 -43.84 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.5 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.465 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.4 pt-20 -66.81 -42.87 85.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.703 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 50.9 m -62.06 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.591 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -63.51 -43.71 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 56.4 m -63.66 -41.68 98.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.382 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 96.5 mt-30 -62.33 -34.68 77.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.406 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -73.44 -36.35 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.211 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.47 -40.18 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.625 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.43 9.94 24.48 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.16 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.13 158.48 57.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.89 166.55 24.18 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.401 2.067 . . . . 10.0 112.123 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 8.5 ttt -73.31 161.57 30.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.694 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 t30 80.1 -28.86 0.14 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.906 0.882 . . . . 10.0 111.678 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -31.72 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.458 . . . . 10.0 110.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.54 129.61 55.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.756 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 14.8 ptt-85 -103.61 127.37 51.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.788 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HB3' HD11 ' A' ' 88' ' ' ILE . 79.8 m-85 -93.85 114.22 26.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.681 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.43 122.94 42.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.229 0.537 . . . . 10.0 111.073 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -128.66 111.24 12.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.355 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 61.51 30.47 18.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.362 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.9 -34.7 4.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.888 -0.673 . . . . 10.0 112.535 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.25 159.73 21.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.614 0.245 . . . . 10.0 110.42 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -102.15 130.21 48.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.861 0.362 . . . . 10.0 110.057 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.0 mm -65.15 123.02 17.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.386 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.48 178.85 8.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.11 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 18.6 m-20 -80.36 -30.32 37.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.012 0.434 . . . . 10.0 110.678 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.55 28.66 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.431 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.81 135.94 33.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.012 0.434 . . . . 10.0 110.495 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -111.37 141.75 25.07 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.321 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.02 -13.38 27.25 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.665 2.243 . . . . 10.0 112.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.69 -34.83 65.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -90.07 -179.81 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.463 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.8 mt 72.21 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.702 0.626 . . . . 10.0 111.063 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.78 48.25 0.12 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 121.026 -0.607 . . . . 10.0 112.089 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.0 mtt -82.64 137.15 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.729 0.3 . . . . 10.0 110.637 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.0 mm-40 -138.04 -170.82 2.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.391 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.62 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 6.0 tp10 -78.38 148.67 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 61.77 27.44 16.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.036 0.446 . . . . 10.0 110.512 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t0 -74.28 157.36 35.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.514 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.9 t -120.42 127.94 75.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 10.0 111.258 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.7 tt -134.25 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.184 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 152.43 21.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 10.0 111.398 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.28 123.34 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.216 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.45 163.15 27.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -93.74 138.32 32.05 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.757 -0.377 . . . . 10.0 110.713 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.507 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.9 mm-40 -72.22 171.78 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.455 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -80.39 -21.37 42.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 10.0 111.084 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.4 p -72.25 -37.12 69.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 10.0 110.765 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.609 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 -178.945 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 1.8 ptp180 . . . . . 0 C--O 1.233 0.215 0 CA-C-O 120.816 0.341 . . . . 10.0 111.638 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 3.0 p-10 -139.23 137.14 18.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.721 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.642 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 96.6 Cg_endo -88.58 145.2 5.74 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.039 2.493 . . . . 10.0 113.497 -179.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.6 131.38 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.226 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . 0.403 HG22 ' HB3' ' A' ' 37' ' ' LYS . 55.7 t -123.65 120.48 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 4.8 pt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 10.0 111.573 -179.409 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.7 mm -111.65 123.36 67.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 4.4 ttpm? -108.71 117.4 34.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.921 0.391 . . . . 10.0 111.073 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.55 144.0 31.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.062 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE3' ' OE2' ' A' ' 33' ' ' GLU . 38.9 mtpt -107.96 114.89 29.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 110.931 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.6 t -97.38 123.56 49.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.379 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.67 114.55 29.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.915 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.84 167.58 40.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.161 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.307 0.575 . . . . 10.0 110.52 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -91.5 10.92 25.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.905 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 66.69 31.55 7.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.368 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 p -88.33 160.09 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.125 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.522 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 8.9 tt0 -122.14 82.81 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.488 . . . . 10.0 109.834 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.427 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 14.4 mm -67.75 120.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.615 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.592 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 21.4 m170 -100.02 88.37 3.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.382 0.61 . . . . 10.0 110.643 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -86.65 118.36 26.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.411 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -95.71 111.25 23.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 10.0 109.938 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -113.41 173.67 2.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.142 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -115.88 142.23 47.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.607 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.523 ' O ' ' HB ' ' A' ' 41' ' ' THR . 53.4 tpp -77.59 79.99 4.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 10.0 110.569 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 40' ' ' MET . 4.8 t 172.15 -20.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.139 -0.937 . . . . 10.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.45 128.94 35.01 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 143.8 57.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.042 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.65 -20.52 63.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.0 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 50.6 tptt -57.03 -42.07 79.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.887 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -69.18 -35.36 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.661 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.26 -39.32 68.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.665 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.41 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.181 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.47 -37.07 77.14 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.927 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -66.01 -36.92 84.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 10.0 110.714 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.88 -36.64 83.97 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.86 -39.52 94.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.246 0.546 . . . . 10.0 109.743 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.05 -32.83 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.092 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.41 -39.82 89.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.455 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.62 -34.73 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.05 36.46 4.44 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.789 -0.72 . . . . 10.0 112.424 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.91 156.2 74.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.24 162.24 39.44 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.391 2.061 . . . . 10.0 111.618 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ttt -72.81 157.36 37.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.66 -0.246 . . . . 10.0 110.967 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 80.22 -14.7 0.82 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.18 0.992 . . . . 10.0 111.6 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -71.51 -30.52 66.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.286 0.565 . . . . 10.0 109.897 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.7 mt -116.58 129.88 56.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 9.9 ptt180 -104.01 129.97 51.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.071 0.462 . . . . 10.0 110.261 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 91.0 m-85 -88.91 127.82 35.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.885 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.2 124.87 53.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.288 0.566 . . . . 10.0 111.173 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.504 ' HB3' HD11 ' A' ' 71' ' ' ILE . 73.1 t80 -142.81 132.57 23.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.948 -1.024 . . . . 10.0 108.367 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 64.54 18.0 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.298 0.57 . . . . 10.0 110.209 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.73 3.62 90.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.111 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -116.37 160.78 20.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 10.8 ptm180 -90.61 128.68 36.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.447 . . . . 10.0 110.292 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 66' ' ' PHE . 40.7 mm -65.89 119.83 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.138 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.47 165.57 23.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.442 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 13.2 m-20 -73.19 -21.84 60.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.164 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -96.07 3.24 53.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -76.32 144.18 40.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.45 . . . . 10.0 111.122 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.574 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -121.4 149.81 53.05 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.241 179.401 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.46 -14.1 40.26 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 122.671 2.247 . . . . 10.0 112.981 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.66 -29.87 65.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.523 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.4 pt-20 -100.96 -177.04 3.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt 73.12 -42.52 0.53 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.435 0.694 . . . . 10.0 111.625 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.01 46.12 0.84 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.376 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.7 mtt -80.96 123.68 28.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.826 0.346 . . . . 10.0 110.544 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 19.6 mt-10 -114.9 -177.63 3.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.074 0.464 . . . . 10.0 110.988 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -78.05 140.26 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 66.95 26.0 9.24 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.476 0.485 . . . . 10.0 110.404 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.5 t0 -73.64 162.12 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.743 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -114.27 123.75 70.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.066 0.46 . . . . 10.0 111.266 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.61 138.21 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.464 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.12 156.95 17.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 10.0 111.036 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.23 124.1 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.918 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.2 162.59 32.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -77.45 136.11 38.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.513 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 2.3 mm-40 -74.24 159.53 32.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.862 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.159 0.504 . . . . 10.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 p -71.37 -60.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.525 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.755 -179.888 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mtt180 . . . . . 0 C--O 1.23 0.074 0 N-CA-C 110.251 -0.277 . . . . 10.0 110.251 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -106.24 124.5 35.62 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.957 0.408 . . . . 10.0 110.994 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.592 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.2 Cg_endo -79.59 111.37 2.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.116 2.544 . . . . 10.0 112.741 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 33.0 mt -102.56 119.41 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.71 112.65 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.325 -0.487 0 CA-C-O 120.975 0.417 . . . . 10.0 111.182 -179.663 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.1 mm -113.92 125.54 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -107.68 123.8 49.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.923 0.392 . . . . 10.0 110.57 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.8 mt -106.3 149.89 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.61 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -97.14 97.47 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.539 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.5 t -89.01 111.98 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 10.0 110.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mm -89.72 116.01 30.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.458 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.45 166.95 28.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.718 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.02 -21.38 66.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.167 0.508 . . . . 10.0 110.88 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -84.38 12.3 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.85 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.3 m 58.95 61.48 2.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.508 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -133.81 153.32 51.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.222 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.577 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 32.7 tt0 -109.45 89.3 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.9 mm -74.9 119.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.746 -0.465 . . . . 10.0 109.746 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.519 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 16.5 m170 -95.14 71.56 3.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.67 -179.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.72 119.56 21.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.354 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -91.82 113.08 25.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.39 158.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.578 . . . . 10.0 111.708 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -101.66 122.87 44.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.596 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' HB ' ' A' ' 41' ' ' THR . 56.4 tpp -74.03 89.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 10.0 111.104 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.612 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 167.67 -26.77 0.0 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.674 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 148.94 23.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -68.39 154.61 41.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.13 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 75' ' ' HIS . 61.6 mt -65.48 -12.39 52.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.241 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 35.4 tptt -53.92 -49.13 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.52 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.29 -31.38 71.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.313 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.4 mm? -75.4 -40.62 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 10.0 110.832 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.14 -44.31 92.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.701 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.2 pt-20 -66.94 -38.61 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.779 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -65.38 -34.5 78.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 10.0 110.741 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 64.5 t80 -62.79 -43.44 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.7 m -63.02 -42.89 99.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 97.1 mt-30 -61.31 -44.37 97.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.778 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -64.5 -43.17 94.95 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.5 mm100 -67.95 -37.42 81.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.798 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.51 6.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.03 -0.605 . . . . 10.0 111.822 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -126.58 157.34 71.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.69 156.72 60.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.243 1.962 . . . . 10.0 111.503 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.09 149.93 49.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.135 -0.226 . . . . 10.0 110.616 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 79.73 0.07 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.993 0.808 . . . . 10.0 112.241 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.1 p -82.19 -25.85 33.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.246 0.546 . . . . 10.0 110.023 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.8 mt -119.07 143.77 46.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.287 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.51 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.7 ptt-85 -116.09 136.95 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.933 0.397 . . . . 10.0 110.301 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' HD11 ' A' ' 88' ' ' ILE . 82.2 m-85 -94.31 125.26 38.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.874 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -109.38 117.44 34.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.036 0.446 . . . . 10.0 111.072 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 71' ' ' ILE . 66.9 t80 -127.64 122.62 33.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.475 -0.784 . . . . 10.0 108.943 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 65.14 17.77 11.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.0 110.278 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.47 -0.16 80.29 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.935 -0.65 . . . . 10.0 112.298 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -108.07 160.94 15.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -95.05 122.9 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 10.0 110.717 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 66' ' ' PHE . 43.1 mm -64.69 126.07 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.967 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.8 -176.05 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.386 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 4.3 m-20 -94.89 -12.68 26.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.899 0.38 . . . . 10.0 110.9 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -104.97 16.41 25.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -82.18 143.22 31.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.193 0.52 . . . . 10.0 111.307 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -119.3 143.99 35.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.021 178.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.68 -6.78 11.29 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.469 2.113 . . . . 10.0 112.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.81 -30.41 45.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 10.0 110.721 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.6 pt-20 -96.18 179.26 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 15.2 mt 73.39 -41.47 0.5 Allowed 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.627 0.579 . . . . 10.0 111.598 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.53 48.86 0.89 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.063 -0.589 . . . . 10.0 111.883 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.9 mtt -89.06 123.76 33.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 10.0 111.15 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 36.7 mt-10 -122.0 -175.74 3.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.254 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 21.4 tp10 -71.73 138.65 48.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 9.4 mm-40 69.93 24.49 5.17 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.569 0.543 . . . . 10.0 111.385 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -78.42 148.57 33.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.3 t -99.26 131.75 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 64' ' ' PHE . 20.9 tt -141.5 141.65 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.6 154.67 27.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.766 0.317 . . . . 10.0 111.29 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.029 0.442 . . . . 10.0 110.98 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -133.65 167.91 19.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.432 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.69 139.78 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 10.0 111.359 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.3 mm-40 -79.69 155.08 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.271 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -66.98 -31.73 72.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 10.0 111.295 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -70.22 -23.49 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.377 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.823 -179.053 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 359' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 5.2 ptp180 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.634 0.254 . . . . 10.0 111.116 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -128.2 112.62 19.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.187 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 361' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.5 Cg_endo -78.64 132.4 10.92 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.812 2.342 . . . . 10.0 113.346 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 10.4 mt -129.11 125.05 61.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.638 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.2 t -127.44 108.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.039 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 14.6 pt . . . . . 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 10.0 111.602 -179.141 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 80.6 m-85 . . . . . 0 N--CA 1.478 0.929 0 N-CA-C 109.739 -0.467 . . . . 10.0 109.739 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 40.4 mm -122.94 117.18 50.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 109.881 -0.414 . . . . 10.0 109.881 179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HZ2' ' HB2' ' A' ' 23' ' ' LYS . 0.1 OUTLIER -90.36 110.89 21.96 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.859 0.362 . . . . 10.0 110.586 179.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.7 mt -95.31 118.75 32.62 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 109.698 -0.482 . . . . 10.0 109.698 179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 42.7 mtpt -85.35 104.37 15.11 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.147 -0.479 . . . . 10.0 110.2 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.521 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 1.8 t -91.14 127.05 43.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.061 -0.518 . . . . 10.0 110.176 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 28.0 mm -83.66 106.13 13.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.122 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -75.51 155.06 46.52 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.751 -0.738 . . . . 10.0 111.995 179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.8 tp60 -63.42 -31.81 73.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.794 0.33 . . . . 10.0 111.089 -179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -89.46 16.32 7.81 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.231 -0.44 . . . . 10.0 110.71 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 42.2 m 64.56 66.94 0.58 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.711 -0.677 . . . . 10.0 110.762 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.428 ' HA ' ' OD1' ' B' ' 358' ' ' ASN . 0.0 OUTLIER -120.1 140.92 50.32 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.254 -0.885 . . . . 10.0 109.798 179.501 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.727 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 14.7 mt-10 -94.22 76.46 4.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.003 0.43 . . . . 10.0 110.331 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.456 HG21 ' HE1' ' A' ' 51' ' ' TYR . 28.6 mm -73.24 114.45 12.67 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-N 116.497 -0.32 . . . . 10.0 110.512 -179.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.606 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.4 OUTLIER -99.93 93.82 5.97 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.415 -0.357 . . . . 10.0 110.804 -179.442 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.64 118.29 25.06 Favored 'General case' 0 C--N 1.319 -0.72 0 C-N-CA 120.865 -0.334 . . . . 10.0 110.724 -179.803 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -89.33 99.16 12.21 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.337 -0.392 . . . . 10.0 109.947 179.461 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -99.99 162.9 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 116.238 -0.437 . . . . 10.0 111.634 -179.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 73.4 tttt -107.68 131.76 54.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.918 -0.583 . . . . 10.0 110.112 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.461 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.2 tpp -75.72 79.79 2.68 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.1 0.476 . . . . 10.0 111.266 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.461 ' HB ' ' O ' ' A' ' 40' ' ' MET . 10.3 t 171.87 -27.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.453 -0.794 . . . . 10.0 109.843 179.108 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.1 m -86.15 141.23 29.52 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.894 -0.594 . . . . 10.0 110.76 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.4 m80 -67.4 145.29 55.19 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.288 -0.414 . . . . 10.0 109.923 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 25.0 mt -64.43 -12.55 44.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.341 -0.39 . . . . 10.0 111.779 -179.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 51.5 tptt -57.09 -47.82 80.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.905 0.384 . . . . 10.0 110.404 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' HA ' ' HD2' ' A' ' 46' ' ' LYS . 29.9 tptt -69.07 -26.68 65.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.838 -0.619 . . . . 10.0 111.081 -178.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.427 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.4 mm? -77.96 -41.89 34.65 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.467 -0.333 . . . . 10.0 110.552 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -61.06 -46.49 90.48 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.954 -0.566 . . . . 10.0 111.464 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 10.1 pt-20 -67.38 -42.84 82.7 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.471 -0.331 . . . . 10.0 111.335 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.1 m -59.58 -36.15 75.69 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.685 0.279 . . . . 10.0 111.241 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.456 ' HE1' HG21 ' A' ' 34' ' ' ILE . 66.0 t80 -64.26 -44.8 90.63 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 109.724 -0.473 . . . . 10.0 109.724 179.066 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 35.2 m -64.03 -45.13 90.29 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.534 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.4 mt-30 -61.98 -34.04 75.43 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.067 -0.515 . . . . 10.0 111.524 -179.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 1.8 ttp180 -72.62 -39.9 66.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.768 0.318 . . . . 10.0 110.828 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -78.55 -12.24 60.0 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.12 0.486 . . . . 10.0 110.684 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 81.29 32.93 30.08 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 121.131 -0.557 . . . . 10.0 112.969 179.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.7 m -125.88 147.23 58.15 Favored Pre-proline 0 C--N 1.322 -0.597 0 N-CA-C 110.154 -0.313 . . . . 10.0 110.154 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.99 156.14 60.64 Favored 'Trans proline' 0 N--CA 1.463 -0.304 0 C-N-CA 122.145 1.896 . . . . 10.0 111.076 179.221 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.4 ttt -67.53 154.6 41.04 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 109.969 -0.382 . . . . 10.0 109.969 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 t30 81.88 -0.49 1.52 Allowed 'General case' 0 N--CA 1.473 0.693 0 O-C-N 123.96 0.788 . . . . 10.0 111.212 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 83.7 p -86.83 -32.98 20.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.114 0.483 . . . . 10.0 110.026 179.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.415 HD23 ' HA ' ' A' ' 92' ' ' GLN . 78.1 mt -118.45 139.0 52.09 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.487 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.444 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.4 ptt-85 -107.55 130.0 54.92 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.197 -0.456 . . . . 10.0 110.28 179.417 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.443 ' HB3' HD11 ' A' ' 88' ' ' ILE . 87.8 m-85 -92.07 120.68 32.92 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.805 -0.634 . . . . 10.0 109.742 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.5 mt -106.05 134.38 49.28 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.161 0.505 . . . . 10.0 111.251 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -140.59 111.36 6.94 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.242 -0.89 . . . . 10.0 108.739 179.317 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 66.43 28.13 9.69 Favored 'General case' 0 C--N 1.331 -0.201 0 O-C-N 123.644 0.59 . . . . 10.0 110.83 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.73 -33.38 5.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.515 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -83.87 162.95 20.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.623 0.249 . . . . 10.0 110.353 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -105.48 132.48 51.59 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.037 0.446 . . . . 10.0 110.6 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 44.3 mm -64.79 125.88 22.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.315 -0.857 . . . . 10.0 111.569 -179.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.67 173.01 9.28 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.993 -0.373 . . . . 10.0 109.993 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.463 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 11.6 m-20 -78.87 -10.57 59.84 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 120.937 0.399 . . . . 10.0 111.464 -179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.7 p-10 -107.91 17.06 22.89 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.451 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -91.26 146.24 23.99 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.92 -0.582 . . . . 10.0 111.289 -179.23 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.539 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -125.58 147.49 58.39 Favored Pre-proline 0 C--N 1.321 -0.64 0 CA-C-N 115.584 -0.734 . . . . 10.0 109.108 178.884 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -62.04 -9.27 14.06 Favored 'Trans proline' 0 C--N 1.347 0.493 0 C-N-CA 122.503 2.136 . . . . 10.0 113.042 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -73.4 -35.36 65.87 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.71 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.2 pt-20 -93.04 179.34 5.47 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.633 -0.258 . . . . 10.0 110.641 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 13.1 mt 72.41 -44.53 0.6 Allowed 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.475 0.71 . . . . 10.0 111.486 -179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.21 39.99 0.84 Allowed Glycine 0 N--CA 1.445 -0.745 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.413 179.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 41.9 mtt -73.04 137.68 45.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.682 0.277 . . . . 10.0 110.643 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 0.9 OUTLIER -133.42 178.76 6.66 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.338 -0.392 . . . . 10.0 111.033 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -65.97 138.16 57.63 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.91 -0.586 . . . . 10.0 110.611 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 59.3 39.24 22.69 Favored 'General case' 0 N--CA 1.466 0.342 0 O-C-N 123.584 0.553 . . . . 10.0 110.823 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.443 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.7 t0 -78.09 163.35 25.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.18 -0.463 . . . . 10.0 110.997 -179.538 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 24.5 t -109.05 128.02 65.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-O 121.009 0.433 . . . . 10.0 111.324 -178.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.521 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.4 tt -134.17 138.88 49.34 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.758 -0.656 . . . . 10.0 109.498 179.629 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -104.84 156.74 17.73 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.852 0.358 . . . . 10.0 111.513 -178.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 9.2 p -137.85 123.21 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 115.763 -0.653 . . . . 10.0 109.865 178.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -130.7 155.23 46.97 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.229 -0.441 . . . . 10.0 109.932 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' HA ' HD23 ' A' ' 62' ' ' LEU . 2.5 tt0 -78.08 140.87 39.09 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 120.893 0.378 . . . . 10.0 110.856 -179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.444 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -76.12 157.63 32.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.406 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -66.1 -26.01 67.27 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.831 -0.622 . . . . 10.0 111.114 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 23.4 p -78.33 -34.03 48.81 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.148 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 90.58 -2.45 80.44 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 120.795 -0.717 . . . . 10.0 111.596 -179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.242 0 CA-C-O 118.911 -0.938 . . . . 10.0 111.147 -179.784 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.0 p-10 . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 109.959 -0.386 . . . . 10.0 109.959 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . 0.556 ' OD1' ' HG3' ' A' ' 33' ' ' GLU . 0.9 OUTLIER -151.59 41.46 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.433 0.635 . . . . 10.0 109.962 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.727 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 4.5 ptp180 -95.3 130.04 42.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.177 -0.92 . . . . 10.0 111.018 -179.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -132.0 115.78 15.5 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-N 115.84 -0.618 . . . . 10.0 110.794 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.606 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 61.1 Cg_endo -77.09 128.63 9.99 Favored 'Trans proline' 0 CA--C 1.531 0.367 0 C-N-CA 122.627 2.218 . . . . 10.0 112.647 179.706 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 9.8 mt -112.69 127.33 69.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.319 -0.4 . . . . 10.0 111.193 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 23.5 t -118.32 120.49 64.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.079 -0.51 . . . . 10.0 109.769 178.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp -107.05 177.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 120.879 0.371 . . . . 10.0 110.681 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.75 127.26 55.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.091 -0.504 . . . . 10.0 110.771 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -81.22 111.49 17.68 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.109 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.69 135.26 12.1 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-N 116.259 -0.428 . . . . 10.0 110.181 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 45.5 Cg_endo . . . . . 0 C--O 1.252 1.21 0 C-N-CA 122.58 2.186 . . . . 10.0 111.971 179.553 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.5 m-85 . . . . . 0 N--CA 1.481 1.123 0 N-CA-C 110.212 -0.292 . . . . 10.0 110.212 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.3 mm -110.1 136.88 44.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.2 128.8 56.4 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.241 0.543 . . . . 10.0 110.943 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 65.6 mt -110.21 145.15 37.79 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.637 -0.71 . . . . 10.0 110.094 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 48.7 mtpt -95.39 107.35 19.48 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.334 -0.394 . . . . 10.0 110.755 -179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 3.5 t -89.68 119.99 37.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 116.089 -0.505 . . . . 10.0 109.747 179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.8 mm -94.54 112.39 27.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.935 -179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -91.91 174.82 37.86 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.913 -0.661 . . . . 10.0 111.686 179.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -66.82 -24.51 66.17 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.964 0.412 . . . . 10.0 110.971 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -81.29 9.35 7.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.448 . . . . 10.0 110.836 179.605 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.1 m 62.38 50.52 3.7 Favored 'General case' 0 C--O 1.233 0.193 0 CA-C-O 121.452 0.644 . . . . 10.0 110.706 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -97.41 167.05 11.24 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 115.506 -0.77 . . . . 10.0 110.924 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.448 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 33.9 mt-10 -128.95 60.0 1.55 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 108.912 -0.773 . . . . 10.0 108.912 178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.408 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 30.3 mm -55.3 137.66 16.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.097 -0.956 . . . . 10.0 111.791 -178.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.632 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.1 OUTLIER -104.27 84.88 2.27 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.012 -0.54 . . . . 10.0 110.258 -179.869 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -83.18 116.36 22.34 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.778 -179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -89.17 106.24 18.31 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 109.038 -0.727 . . . . 10.0 109.038 179.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 19.6 m -95.56 153.26 3.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-O 121.581 0.705 . . . . 10.0 111.998 -178.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.4 tttt -89.6 110.68 21.53 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.16 -0.927 . . . . 10.0 109.192 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 2.2 tpt -73.88 73.91 1.62 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.201 0.524 . . . . 10.0 111.347 -178.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.5 t 174.41 -18.02 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 114.981 -1.009 . . . . 10.0 109.904 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -104.82 151.01 24.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.945 -0.57 . . . . 10.0 110.623 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 9.6 m80 -69.44 155.43 40.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 110.914 179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.5 mt -72.9 -1.52 17.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.002 -0.544 . . . . 10.0 111.264 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.518 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 46.3 tptt -56.52 -55.66 30.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.938 -0.573 . . . . 10.0 110.602 179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 46' ' ' LYS . 33.3 tptt -66.85 -35.1 79.27 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.634 -179.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -60.38 -42.86 96.75 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 10.0 110.683 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.5 mtpt -62.94 -52.41 63.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.961 -0.563 . . . . 10.0 112.024 -179.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' OE1' ' HE3' ' A' ' 45' ' ' LYS . 7.3 pt-20 -67.38 -35.29 79.03 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 111.984 0.364 . . . . 10.0 111.984 -178.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 60.5 m -62.61 -39.59 94.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.887 0.375 . . . . 10.0 110.63 179.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.4 t80 -66.47 -37.15 84.49 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-O 120.796 0.332 . . . . 10.0 110.162 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 58.4 m -62.37 -46.59 87.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.06 179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.0 mt-30 -64.53 -34.68 78.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.985 -0.552 . . . . 10.0 110.756 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.65 -27.22 64.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.569 179.598 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -91.52 -11.11 38.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.54 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 83.02 38.23 11.61 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 121.062 -0.589 . . . . 10.0 113.231 179.48 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.2 m -141.42 153.85 66.31 Favored Pre-proline 0 C--N 1.326 -0.447 0 N-CA-C 110.26 -0.274 . . . . 10.0 110.26 179.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.3 173.66 11.12 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.269 1.98 . . . . 10.0 111.507 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.503 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 7.6 ttt -78.57 154.53 30.28 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.246 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.503 ' HB2' ' O ' ' A' ' 59' ' ' MET . 4.0 m120 77.51 4.88 3.08 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.949 0.781 . . . . 10.0 111.685 179.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 74.0 p -85.92 -41.01 15.3 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.465 0.65 . . . . 10.0 109.552 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 55.2 mt -110.16 134.72 51.91 Favored 'General case' 0 N--CA 1.45 -0.465 0 CA-C-N 115.267 -0.879 . . . . 10.0 109.996 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.542 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.6 ptt-85 -103.96 132.78 49.87 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.172 -0.467 . . . . 10.0 110.361 179.703 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.418 ' HB3' HD11 ' A' ' 88' ' ' ILE . 58.8 m-85 -92.62 126.0 37.5 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.893 179.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 96.1 mt -113.97 125.87 54.51 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.21 0.529 . . . . 10.0 111.503 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 72.6 t80 -132.62 120.83 22.31 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.285 -0.87 . . . . 10.0 109.02 178.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 62.65 23.19 13.8 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.501 0.5 . . . . 10.0 111.035 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.54 -21.12 42.66 Favored Glycine 0 N--CA 1.449 -0.495 0 C-N-CA 121.038 -0.601 . . . . 10.0 112.367 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 80.1 mt-30 -92.78 164.41 13.37 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 110.049 -0.352 . . . . 10.0 110.049 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -99.37 142.61 30.63 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.03 0.443 . . . . 10.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.1 mm -79.86 124.57 38.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 115.761 -0.654 . . . . 10.0 111.001 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.51 167.56 15.33 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 116.007 -0.542 . . . . 10.0 110.56 179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.4 m-20 -73.53 -16.67 61.27 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.957 -179.57 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -102.94 13.05 35.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.261 -0.427 . . . . 10.0 111.305 -179.205 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.8 m170 -84.75 145.13 28.07 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.205 0.526 . . . . 10.0 111.492 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.4 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -122.55 144.8 43.19 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-N 115.541 -0.754 . . . . 10.0 109.519 179.359 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.89 -10.06 21.3 Favored 'Trans proline' 0 C--N 1.349 0.588 0 C-N-CA 122.429 2.086 . . . . 10.0 112.388 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -76.59 -28.84 56.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.046 -0.524 . . . . 10.0 110.694 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.452 ' HG3' ' HG ' ' A' ' 80' ' ' LEU . 5.9 pt-20 -104.24 -172.21 2.07 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 110.055 -0.35 . . . . 10.0 110.055 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.452 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 74.1 mt 71.45 -57.06 0.62 Allowed 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.196 0.598 . . . . 10.0 110.817 -179.52 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 126.12 50.54 0.18 Allowed Glycine 0 N--CA 1.442 -0.943 0 N-CA-C 111.333 -0.707 . . . . 10.0 111.333 -179.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 31.7 mtt -92.25 129.95 38.07 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.049 0.452 . . . . 10.0 110.521 -179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.8 mt-10 -128.35 -178.71 4.67 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.8 -0.637 . . . . 10.0 110.95 -179.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 tp10 -68.85 139.35 55.2 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.053 -0.522 . . . . 10.0 110.542 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 27.0 mm-40 64.88 27.97 12.77 Favored 'General case' 0 N--CA 1.463 0.203 0 O-C-N 123.758 0.661 . . . . 10.0 111.334 179.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.442 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.7 OUTLIER -72.08 156.38 39.26 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.138 -0.483 . . . . 10.0 110.557 179.918 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 65.0 t -105.62 121.61 58.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.111 0.481 . . . . 10.0 111.69 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.418 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.6 tt -132.48 133.59 59.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 115.682 -0.69 . . . . 10.0 109.349 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -105.63 154.39 20.48 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.949 0.404 . . . . 10.0 111.475 -178.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 4.6 p -130.29 124.39 57.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.797 -0.638 . . . . 10.0 110.265 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -128.41 156.07 43.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.409 -0.36 . . . . 10.0 110.227 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -84.42 138.19 32.97 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 110.001 -0.37 . . . . 10.0 110.001 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.542 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.6 mm-40 -76.54 150.62 36.54 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.16 179.408 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 53.6 tt0 -64.94 -29.13 70.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.305 0.574 . . . . 10.0 109.901 179.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -68.37 -17.8 64.32 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.401 -0.818 . . . . 10.0 111.53 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.49 -55.94 5.01 Favored Glycine 0 N--CA 1.448 -0.536 0 C-N-CA 120.868 -0.682 . . . . 10.0 112.265 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.85 0 CA-C-O 119.057 -0.857 . . . . 10.0 111.23 179.69 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 23.0 p-10 . . . . . 0 N--CA 1.481 1.096 0 CA-C-O 120.656 0.265 . . . . 10.0 110.301 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 28.6 p30 -164.83 31.31 0.06 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.456 -0.338 . . . . 10.0 111.106 -179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.448 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 50.7 mtp180 -120.43 103.63 9.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.361 -0.381 . . . . 10.0 110.711 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -118.9 134.21 23.61 Favored Pre-proline 0 C--N 1.323 -0.564 0 N-CA-C 109.498 -0.556 . . . . 10.0 109.498 178.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.632 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -78.86 133.65 11.43 Favored 'Trans proline' 0 N--CA 1.462 -0.362 0 C-N-CA 122.702 2.268 . . . . 10.0 113.442 -179.078 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 36.2 mt -114.65 131.23 67.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.185 178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 15.7 m -127.99 137.67 56.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 N-CA-C 109.86 -0.422 . . . . 10.0 109.86 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 7.6 pt -129.12 171.37 17.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.817 0.341 . . . . 10.0 110.953 -179.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 47.3 m -108.88 152.79 24.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.87 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -71.63 152.65 42.7 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.198 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 7.5 m -148.76 93.42 4.25 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.538 -0.301 . . . . 10.0 110.279 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo . . . . . 0 C--O 1.249 1.03 0 C-N-CA 123.217 2.611 . . . . 10.0 111.823 179.425 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 77.9 m-85 . . . . . 0 N--CA 1.482 1.128 0 N-CA-C 110.007 -0.368 . . . . 10.0 110.007 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -110.22 124.62 67.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.742 -0.466 . . . . 10.0 109.742 179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.447 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 2.6 ttpm? -99.5 110.22 22.7 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 120.946 0.403 . . . . 10.0 110.999 -179.656 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.9 mt -98.55 131.77 44.5 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.994 179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 mtpt -90.16 105.05 17.55 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.388 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.538 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 3.0 t -86.07 114.5 25.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 115.82 -0.627 . . . . 10.0 110.648 -179.462 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.499 ' HA ' ' O ' ' A' ' 32' ' ' SER . 26.1 mm -95.66 111.97 27.08 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.77 -0.65 . . . . 10.0 110.41 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.55 170.21 38.35 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.855 -0.688 . . . . 10.0 112.436 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 26.0 tp60 -62.2 -27.17 68.79 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.979 0.419 . . . . 10.0 111.227 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.32 15.32 5.43 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.807 -179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 6.9 m 63.66 49.72 2.93 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 121.375 0.607 . . . . 10.0 110.973 179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.499 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.5 OUTLIER -98.58 158.47 15.58 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.606 -0.725 . . . . 10.0 110.071 179.447 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.463 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 11.4 tt0 -129.32 70.71 1.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.291 0.567 . . . . 10.0 109.824 179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.46 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 25.7 mm -71.95 131.5 34.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 CA-C-N 115.717 -0.674 . . . . 10.0 110.516 -179.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.403 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 46.2 m170 -96.97 95.82 8.08 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.357 0.599 . . . . 10.0 110.654 -179.196 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.52 116.59 23.2 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.394 -179.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -94.14 98.22 10.82 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.558 -0.534 . . . . 10.0 109.558 179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.5 m -97.25 161.34 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.164 -0.471 . . . . 10.0 111.519 -178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -108.62 139.05 43.95 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.312 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.58 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.6 tpp -81.13 76.2 8.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.129 -0.487 . . . . 10.0 111.257 -179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.58 ' HB ' ' O ' ' A' ' 40' ' ' MET . 1.0 OUTLIER 170.73 -27.65 0.0 OUTLIER 'General case' 0 C--O 1.233 0.211 0 CA-C-N 115.683 -0.689 . . . . 10.0 110.712 178.797 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.3 m -89.12 142.77 27.36 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.427 -0.351 . . . . 10.0 110.801 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -64.56 143.6 57.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.07 179.156 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 70.9 mt -64.94 -11.42 38.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.865 -179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.7 tptt -58.02 -48.11 81.03 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.626 -0.715 . . . . 10.0 110.326 178.35 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 31.6 tptt -67.45 -29.01 68.36 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.936 -0.575 . . . . 10.0 110.677 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -73.2 -44.77 59.22 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.085 -0.507 . . . . 10.0 110.027 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -57.13 -48.68 78.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.694 -0.684 . . . . 10.0 111.679 -179.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 8.7 pt-20 -67.44 -35.66 79.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.674 -0.239 . . . . 10.0 111.631 -179.367 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.8 m -63.02 -40.05 96.58 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.79 0.329 . . . . 10.0 111.159 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -63.77 -38.6 91.72 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.714 -0.476 . . . . 10.0 109.714 178.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 57' ' ' VAL . 57.6 m -63.18 -46.86 85.15 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.892 -0.595 . . . . 10.0 110.146 179.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.434 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 78.4 mt-30 -59.66 -42.01 91.89 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-N 116.034 -0.53 . . . . 10.0 110.421 179.461 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 3.7 tpt180 -63.28 -41.11 98.97 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.288 -0.869 . . . . 10.0 111.419 -179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -81.91 -7.75 59.63 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.822 -179.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.78 30.39 56.13 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.853 -0.689 . . . . 10.0 112.987 179.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.41 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 6.2 m -128.53 147.57 64.6 Favored Pre-proline 0 C--N 1.322 -0.593 0 N-CA-C 110.356 -0.238 . . . . 10.0 110.356 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 28.1 Cg_endo -64.36 156.99 56.93 Favored 'Trans proline' 0 N--CA 1.465 -0.169 0 C-N-CA 122.322 2.014 . . . . 10.0 111.317 179.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.491 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 9.0 ttt -69.51 153.83 42.92 Favored 'General case' 0 C--N 1.321 -0.632 0 C-N-CA 120.78 -0.368 . . . . 10.0 110.397 -179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.491 ' HB2' ' O ' ' A' ' 59' ' ' MET . 3.6 m-20 77.1 8.08 2.93 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 123.812 0.695 . . . . 10.0 111.625 179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 85.4 p -91.87 -26.94 18.24 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.486 0.66 . . . . 10.0 109.429 178.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 97.1 mt -119.6 133.66 55.56 Favored 'General case' 0 N--CA 1.449 -0.483 0 CA-C-N 115.084 -0.962 . . . . 10.0 109.938 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.524 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.4 ptt-85 -104.35 129.02 52.26 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-O 121.018 0.437 . . . . 10.0 110.308 179.753 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.456 ' HB3' HD11 ' A' ' 88' ' ' ILE . 75.4 m-85 -92.43 120.63 33.11 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.532 -0.758 . . . . 10.0 109.51 179.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.7 mt -108.16 126.45 52.8 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.665 0.745 . . . . 10.0 111.754 -179.012 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 62.8 t80 -130.16 115.28 16.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 114.827 -1.078 . . . . 10.0 108.902 178.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 63.34 29.62 15.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.746 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.58 -17.22 53.7 Favored Glycine 0 CA--C 1.519 0.3 0 CA-C-N 115.943 -0.572 . . . . 10.0 112.818 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -95.47 164.43 12.81 Favored 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.823 -0.222 . . . . 10.0 110.414 -179.554 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -104.39 134.45 47.59 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.868 0.366 . . . . 10.0 110.705 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.71 123.07 21.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.798 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.59 167.5 16.22 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.983 -0.553 . . . . 10.0 111.076 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.8 m-20 -79.23 7.18 8.12 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.273 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -130.22 16.94 5.54 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.747 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -91.32 160.48 15.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.114 -0.494 . . . . 10.0 111.273 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.531 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.1 OUTLIER -139.46 153.83 71.03 Favored Pre-proline 0 C--N 1.323 -0.562 0 CA-C-N 115.617 -0.719 . . . . 10.0 109.945 179.34 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_exo -66.55 -10.02 26.36 Favored 'Trans proline' 0 C--N 1.347 0.494 0 C-N-CA 122.55 2.166 . . . . 10.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 11.8 tppt? -77.41 -23.44 50.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.833 -0.621 . . . . 10.0 111.153 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.531 ' HG2' ' O ' ' A' ' 76' ' ' THR . 12.4 pt-20 -104.93 175.67 5.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.567 -0.288 . . . . 10.0 110.441 -179.694 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 64.5 mt 70.8 -62.2 0.45 Allowed 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.944 0.778 . . . . 10.0 111.228 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 132.82 64.37 0.08 OUTLIER Glycine 0 N--CA 1.448 -0.502 0 C-N-CA 121.15 -0.548 . . . . 10.0 112.137 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 36.4 mtt -94.45 131.12 40.47 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.742 0.306 . . . . 10.0 110.59 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.2 mm-40 -129.67 175.68 8.62 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.273 -0.421 . . . . 10.0 110.227 179.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.528 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 23.8 tp10 -72.45 136.87 46.09 Favored 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.436 -0.579 . . . . 10.0 109.436 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.528 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 23.9 mm-40 75.29 25.35 1.3 Allowed 'General case' 0 N--CA 1.468 0.446 0 O-C-N 124.01 0.819 . . . . 10.0 110.896 -179.377 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.425 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -76.61 164.11 26.23 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.275 -0.42 . . . . 10.0 110.777 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.0 t -110.87 122.96 66.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.201 -0.454 . . . . 10.0 111.576 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.538 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 12.7 tt -130.71 121.89 51.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 N-CA-C 108.958 -0.756 . . . . 10.0 108.958 178.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -95.38 154.35 17.24 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 120.87 0.367 . . . . 10.0 111.072 -178.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.3 p -133.58 127.94 53.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-N 116.234 -0.439 . . . . 10.0 110.125 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.2 m-85 -128.51 166.1 19.43 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.239 -0.437 . . . . 10.0 110.671 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -84.09 134.18 34.61 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.191 -0.459 . . . . 10.0 110.092 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.524 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.6 mm-40 -77.3 154.73 32.61 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.776 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 31.2 tt0 -69.02 -27.65 65.87 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.64 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.8 p -67.73 -44.5 77.45 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.931 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 98.81 -0.21 57.74 Favored Glycine 0 N--CA 1.448 -0.512 0 C-N-CA 120.774 -0.727 . . . . 10.0 111.718 -179.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.809 0 CA-C-O 118.745 -1.03 . . . . 10.0 111.959 179.819 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 20.6 p-10 . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 110.252 -0.277 . . . . 10.0 110.252 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -145.15 28.4 1.23 Allowed 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.146 179.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.463 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 85.3 mtt180 -104.23 83.67 2.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.571 -0.74 . . . . 10.0 110.45 -179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -92.89 122.92 62.78 Favored Pre-proline 0 C--N 1.325 -0.49 0 CA-C-N 116.292 -0.413 . . . . 10.0 110.747 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.403 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 71.9 Cg_endo -84.7 106.74 1.09 Allowed 'Trans proline' 0 C--O 1.237 0.466 0 C-N-CA 122.86 2.373 . . . . 10.0 112.257 179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.0 mt -101.86 120.02 50.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.893 0.378 . . . . 10.0 111.821 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.0 t -120.2 137.92 52.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.139 -0.689 . . . . 10.0 109.139 178.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 3.2 pt -111.18 177.51 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.081 0.467 . . . . 10.0 111.892 -179.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 48.9 m -107.7 123.72 48.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.397 -0.82 . . . . 10.0 110.425 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -105.06 125.19 50.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.418 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 9.0 m -148.79 91.17 4.68 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.651 -0.249 . . . . 10.0 110.845 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 8.1 Cg_exo . . . . . 0 C--O 1.245 0.854 0 C-N-CA 122.961 2.44 . . . . 10.0 111.79 179.347 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 10.7 m-85 . . . . . 0 N--CA 1.483 1.209 0 N-CA-C 110.35 -0.241 . . . . 10.0 110.35 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 34.3 mm -105.19 140.91 21.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 N-CA-C 109.99 -0.374 . . . . 10.0 109.99 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -112.77 103.1 11.11 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.144 0.497 . . . . 10.0 110.555 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.5 mt -88.03 158.45 18.61 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.979 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.5 mtpp -109.97 99.86 8.91 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.65 -0.5 . . . . 10.0 109.65 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.53 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -91.26 113.48 26.95 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.674 0 N-CA-C 109.695 -0.483 . . . . 10.0 109.695 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 45.6 mm -92.2 109.48 21.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-N 116.017 -0.538 . . . . 10.0 110.624 -179.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -78.38 169.12 54.26 Favored Glycine 0 N--CA 1.444 -0.79 0 C-N-CA 120.754 -0.736 . . . . 10.0 112.056 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.6 tp60 -66.65 -26.14 66.91 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.039 0.447 . . . . 10.0 110.208 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -85.78 13.59 7.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.899 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m 62.86 52.61 2.64 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-N 115.635 -0.711 . . . . 10.0 112.507 178.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -110.01 154.76 22.73 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.494 178.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 8.7 tt0 -115.24 84.2 2.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.312 0.577 . . . . 10.0 110.003 179.517 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.53 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 43.8 mm -77.49 118.54 24.47 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.119 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.585 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 41.1 m170 -96.42 76.83 2.95 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.427 0.632 . . . . 10.0 110.111 -179.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -73.56 117.46 15.35 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 115.597 -0.729 . . . . 10.0 110.589 -179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.7 ttmt -82.79 102.02 11.31 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.4 m -96.44 163.55 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.538 -0.755 . . . . 10.0 111.418 -178.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 84.4 tttt -112.39 128.98 56.46 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.896 -0.593 . . . . 10.0 110.245 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.474 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -78.43 77.16 4.93 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.195 0.521 . . . . 10.0 110.729 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 174.81 -30.37 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.271 -0.877 . . . . 10.0 109.496 179.389 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -90.87 148.58 22.39 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.992 -0.549 . . . . 10.0 110.261 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.585 ' HA ' HG23 ' A' ' 76' ' ' THR . 48.2 m80 -68.98 154.28 42.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.548 -0.296 . . . . 10.0 110.273 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 13.1 mt -67.87 -13.32 62.05 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 10.0 110.539 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 49.2 tptt -56.11 -47.18 78.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.177 178.422 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HA ' ' HD2' ' A' ' 46' ' ' LYS . 23.2 tptt -67.07 -25.72 66.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.506 -0.77 . . . . 10.0 111.216 -179.052 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.2 mm? -81.2 -43.24 19.57 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 10.0 110.499 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.9 mtpt -62.01 -42.92 99.68 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.878 -0.601 . . . . 10.0 111.353 -179.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.4 pt-20 -67.06 -44.94 78.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.772 -0.195 . . . . 10.0 111.096 -179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.4 m -61.67 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.922 0.391 . . . . 10.0 111.124 -179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -67.42 -46.02 74.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.999 -0.546 . . . . 10.0 110.517 179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 50.8 m -61.86 -41.58 98.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.109 -0.496 . . . . 10.0 110.421 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.415 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 94.1 mt-30 -63.94 -31.54 72.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.874 -0.603 . . . . 10.0 110.833 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -72.8 -43.47 62.7 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.35 -0.386 . . . . 10.0 110.584 179.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -67.45 -31.54 71.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.145 -0.479 . . . . 10.0 110.588 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 100.12 28.34 7.32 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.787 -0.721 . . . . 10.0 112.3 179.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.8 m -132.02 150.48 76.22 Favored Pre-proline 0 C--N 1.323 -0.544 0 N-CA-C 110.304 -0.258 . . . . 10.0 110.304 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 29.6 Cg_endo -64.15 164.95 20.8 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.491 2.127 . . . . 10.0 111.158 179.096 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 14.7 ttt -73.73 158.69 34.17 Favored 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.701 -0.4 . . . . 10.0 110.582 -179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 77.73 4.14 2.98 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.54 0.736 . . . . 10.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.9 p -84.73 -35.47 22.45 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.337 0.589 . . . . 10.0 110.026 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 17.0 mt -112.16 141.84 45.36 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-N 115.348 -0.842 . . . . 10.0 111.066 -179.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 21.9 ptt-85 -107.38 125.69 51.52 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.656 -0.702 . . . . 10.0 109.522 179.101 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.437 ' HB3' HD11 ' A' ' 88' ' ' ILE . 71.8 m-85 -90.05 116.48 28.11 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.832 -0.622 . . . . 10.0 109.581 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.2 mt -104.79 132.36 51.13 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.073 0.463 . . . . 10.0 110.967 -178.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 49.6 t80 -139.32 117.36 11.76 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.593 -0.73 . . . . 10.0 109.59 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 63.36 25.18 14.52 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.843 -0.617 . . . . 10.0 111.264 179.616 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 102.49 -43.72 1.64 Allowed Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.755 -0.657 . . . . 10.0 112.333 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 91.7 mt-30 -78.48 177.45 8.52 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 110.36 -0.237 . . . . 10.0 110.36 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -112.83 141.97 46.02 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.047 0.451 . . . . 10.0 110.773 179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.3 mm -73.36 124.51 30.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.462 -0.79 . . . . 10.0 111.347 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.425 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -78.94 160.62 27.16 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.816 -0.629 . . . . 10.0 109.869 179.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.7 m-20 -67.33 -38.24 84.58 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.518 -0.31 . . . . 10.0 111.599 -179.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -85.2 6.9 23.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 111.967 0.358 . . . . 10.0 111.967 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.425 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -72.77 154.72 40.53 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.187 0.517 . . . . 10.0 110.99 -179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.585 HG23 ' HA ' ' A' ' 43' ' ' HIS . 0.3 OUTLIER -133.45 146.23 59.79 Favored Pre-proline 0 C--N 1.322 -0.594 0 N-CA-C 109.405 -0.591 . . . . 10.0 109.405 179.604 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.447 ' HD2' HG22 ' A' ' 76' ' ' THR . 32.1 Cg_exo -62.51 -8.78 13.71 Favored 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.365 2.043 . . . . 10.0 112.573 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.5 tppt? -69.01 -30.46 68.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.927 -0.579 . . . . 10.0 110.346 179.376 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 7.2 pt-20 -108.73 176.33 5.15 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.869 -0.419 . . . . 10.0 109.869 179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.448 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 77.1 mt 73.76 -23.53 0.22 Allowed 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.229 0.612 . . . . 10.0 111.414 -179.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.424 ' H ' ' C ' ' A' ' 79' ' ' GLU . . . 88.89 40.55 6.2 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.893 -0.67 . . . . 10.0 113.084 179.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.5 mtt -75.17 116.12 15.55 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.996 -0.372 . . . . 10.0 109.996 179.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 52.1 mt-10 -115.0 -176.92 3.01 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 121.105 0.478 . . . . 10.0 111.756 -178.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 24.7 tp10 -72.24 140.28 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.692 -0.685 . . . . 10.0 109.798 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 64.77 29.92 12.52 Favored 'General case' 0 C--O 1.233 0.209 0 O-C-N 123.422 0.451 . . . . 10.0 110.949 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -81.56 148.04 29.33 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.249 -0.649 . . . . 10.0 109.249 178.652 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.9 t -98.81 122.69 50.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.048 0.452 . . . . 10.0 112.056 -178.243 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.437 HD11 ' HB3' ' A' ' 64' ' ' PHE . 14.0 tt -129.74 135.93 60.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 N-CA-C 108.932 -0.766 . . . . 10.0 108.932 178.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -101.29 157.12 17.02 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-O 121.058 0.456 . . . . 10.0 111.606 -178.508 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.26 123.75 12.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.826 -0.625 . . . . 10.0 109.945 178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 71.7 m-85 -136.48 159.15 42.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.295 -0.412 . . . . 10.0 110.347 -179.218 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -76.65 140.14 40.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.914 0.388 . . . . 10.0 111.077 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.405 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -79.39 163.05 25.13 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.941 -0.572 . . . . 10.0 110.435 179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 tt0 -69.26 -24.27 63.96 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.493 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -69.1 -28.66 66.69 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.252 179.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.87 -42.67 2.15 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.765 -0.731 . . . . 10.0 112.274 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.608 -1.107 . . . . 10.0 111.862 179.914 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 9.3 p-10 . . . . . 0 N--CA 1.48 1.052 0 CA-C-O 121.026 0.441 . . . . 10.0 110.447 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 24.6 p-10 -130.58 6.27 4.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.999 0.428 . . . . 10.0 110.662 179.561 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.489 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.0 OUTLIER -99.93 142.27 31.63 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.673 -179.171 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 32.1 t0 -137.68 93.89 12.1 Favored Pre-proline 0 C--N 1.325 -0.459 0 CA-C-N 116.416 -0.356 . . . . 10.0 110.327 179.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.585 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 6.8 Cg_exo -76.09 131.85 13.46 Favored 'Trans proline' 0 C--O 1.235 0.331 0 C-N-CA 123.275 2.65 . . . . 10.0 112.656 179.54 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.0 mp -135.0 139.03 48.07 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.171 0 CA-C-N 116.384 -0.371 . . . . 10.0 111.472 -179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 5.1 t -111.4 130.92 64.05 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.377 -0.374 . . . . 10.0 110.252 179.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt -92.68 -176.63 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.877 0.37 . . . . 10.0 111.601 -179.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 1.4 m -118.07 109.46 16.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.308 -0.406 . . . . 10.0 110.777 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 20.2 t0 -80.08 129.07 34.21 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.849 -0.426 . . . . 10.0 109.849 179.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -140.17 142.26 29.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 CA-C-O 120.71 0.291 . . . . 10.0 111.625 -179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo . . . . . 0 C--O 1.252 1.207 0 C-N-CA 122.653 2.235 . . . . 10.0 111.605 178.723 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.416 ' HB3' ' O ' ' A' ' 38' ' ' VAL . 18.6 m-85 . . . . . 0 N--CA 1.479 1.002 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.2 mm -97.81 125.53 50.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 N-CA-C 109.579 -0.526 . . . . 10.0 109.579 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 5.3 ttpm? -104.33 117.38 34.05 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 120.96 0.41 . . . . 10.0 110.51 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 53.3 mt -102.29 138.89 38.62 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.87 -0.604 . . . . 10.0 110.688 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 21.4 mtpt -94.93 106.0 17.96 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.714 179.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.3 t -95.42 122.5 46.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 N-CA-C 109.673 -0.491 . . . . 10.0 109.673 179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 27.6 mm -88.72 112.72 24.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.188 -0.46 . . . . 10.0 110.646 -179.733 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -83.61 159.97 37.16 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.966 -0.635 . . . . 10.0 112.501 179.58 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.2 tp60 -68.87 -14.48 63.06 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-O 121.224 0.535 . . . . 10.0 110.628 -179.512 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 38.5 p-10 -95.77 9.27 41.03 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.75 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 8.9 m 66.64 51.51 1.09 Allowed 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.593 -0.73 . . . . 10.0 111.818 179.239 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 25.4 p -118.46 142.11 47.89 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.427 -0.351 . . . . 10.0 111.013 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.496 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 6.1 mt-10 -88.74 85.96 6.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.257 -0.428 . . . . 10.0 109.95 179.186 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.7 mm -81.6 104.93 10.87 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 N-CA-C 109.954 -0.387 . . . . 10.0 109.954 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.546 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 23.9 m170 -91.15 85.12 5.79 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.271 0.558 . . . . 10.0 110.431 -179.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -81.61 116.41 21.35 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.776 -0.647 . . . . 10.0 110.964 -179.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 27.6 ttmt -90.24 115.84 27.77 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.783 -0.451 . . . . 10.0 109.783 179.643 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.416 ' O ' ' HB3' ' A' ' 21' ' ' TYR . 7.7 m -105.34 161.07 5.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.186 0.517 . . . . 10.0 112.048 -178.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -103.06 117.46 34.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.434 -0.803 . . . . 10.0 109.768 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 53.0 tpp -72.82 79.05 1.13 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.076 0.465 . . . . 10.0 111.161 -179.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 175.43 -30.41 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.505 -0.77 . . . . 10.0 109.372 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -94.11 146.76 23.74 Favored 'General case' 0 N--CA 1.448 -0.548 0 CA-C-N 115.748 -0.66 . . . . 10.0 109.895 179.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -65.57 154.45 38.68 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.121 179.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 21.7 mt -71.27 -4.73 27.44 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.475 -0.329 . . . . 10.0 111.061 -179.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 36.7 tptt -57.96 -53.92 52.8 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 116.135 -0.484 . . . . 10.0 110.196 178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.6 tptt -64.16 -35.97 82.52 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.786 -0.643 . . . . 10.0 110.723 -179.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.1 mm? -66.21 -41.93 89.45 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.193 -0.458 . . . . 10.0 110.94 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.09 -45.69 90.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.263 -0.426 . . . . 10.0 111.817 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -70.08 -35.09 73.95 Favored 'General case' 0 C--N 1.33 -0.239 0 C-N-CA 120.793 -0.363 . . . . 10.0 110.941 -179.725 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.8 m -64.77 -37.1 86.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 10.0 110.413 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -64.65 -42.86 95.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 10.0 110.046 179.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.8 m -59.93 -45.41 92.67 Favored 'General case' 0 C--O 1.234 0.248 0 CA-C-N 115.857 -0.61 . . . . 10.0 109.991 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 87.6 mt-30 -61.55 -37.93 85.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.718 -0.674 . . . . 10.0 110.781 179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -64.35 -34.45 78.19 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.904 -0.589 . . . . 10.0 110.95 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -87.29 -12.04 47.74 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.376 -0.375 . . . . 10.0 110.838 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.97 27.15 51.2 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.176 -0.535 . . . . 10.0 112.602 179.499 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -125.86 155.76 72.41 Favored Pre-proline 0 C--N 1.323 -0.573 0 N-CA-C 110.375 -0.231 . . . . 10.0 110.375 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -70.52 166.72 27.61 Favored 'Trans proline' 0 C--O 1.237 0.439 0 C-N-CA 122.007 1.804 . . . . 10.0 111.793 179.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 16.0 ttt -75.96 156.65 33.97 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 116.362 -0.381 . . . . 10.0 110.758 -179.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 35.7 t30 74.76 4.0 4.29 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 123.919 0.762 . . . . 10.0 111.693 179.511 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -90.79 -17.43 26.62 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.266 0.555 . . . . 10.0 109.907 178.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 88.0 mt -124.74 133.94 52.99 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.589 -0.732 . . . . 10.0 110.42 -179.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.439 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.9 ptt-85 -103.03 127.83 50.13 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.265 -0.425 . . . . 10.0 110.177 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.541 ' HB3' HD11 ' A' ' 88' ' ' ILE . 91.8 m-85 -94.92 111.53 23.31 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.868 -0.605 . . . . 10.0 109.445 179.49 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 80.6 mt -102.51 121.0 41.48 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.203 0.525 . . . . 10.0 111.596 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -123.36 108.23 12.51 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.39 -0.823 . . . . 10.0 109.027 179.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 65.96 21.47 11.33 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.083 -0.508 . . . . 10.0 111.221 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.92 -20.36 48.16 Favored Glycine 0 N--CA 1.448 -0.559 0 C-N-CA 120.783 -0.723 . . . . 10.0 112.474 179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -91.09 155.67 18.48 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.24 -0.281 . . . . 10.0 110.24 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -98.19 129.81 44.95 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.22 0.533 . . . . 10.0 110.383 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.0 mm -70.7 118.57 15.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.541 -0.754 . . . . 10.0 110.452 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' O ' ' HB2' ' A' ' 75' ' ' HIS . . . -83.77 172.35 12.29 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.002 -0.545 . . . . 10.0 110.576 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.441 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 6.6 m-20 -74.87 -24.89 58.64 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 116.111 -0.495 . . . . 10.0 110.621 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.5 p-10 -96.83 20.68 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.464 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.409 ' HB2' ' O ' ' A' ' 72' ' ' ALA . 0.3 OUTLIER -88.59 148.65 23.97 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.791 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.602 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -123.32 146.54 49.73 Favored Pre-proline 0 C--N 1.321 -0.654 0 CA-C-N 115.879 -0.601 . . . . 10.0 110.434 179.637 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_exo -67.0 -13.61 40.56 Favored 'Trans proline' 0 C--N 1.347 0.469 0 C-N-CA 122.425 2.083 . . . . 10.0 112.299 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.2 tppt? -73.9 -36.38 64.74 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.973 -0.558 . . . . 10.0 111.045 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 76' ' ' THR . 14.0 pt-20 -83.82 174.37 10.47 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.542 -179.19 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.41 ' HG ' ' HG3' ' A' ' 79' ' ' GLU . 91.8 mt 71.65 -53.09 0.69 Allowed 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 123.404 0.681 . . . . 10.0 111.257 -179.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.4 56.45 0.26 Allowed Glycine 0 N--CA 1.447 -0.568 0 N-CA-C 111.769 -0.533 . . . . 10.0 111.769 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.3 mtt -82.0 131.26 35.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.782 0.325 . . . . 10.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.526 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 4.5 mm-40 -123.15 179.78 4.57 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.136 0.493 . . . . 10.0 111.463 -179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.435 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 19.3 tp10 -74.14 140.97 45.58 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.688 -0.687 . . . . 10.0 109.392 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 67.35 23.59 9.19 Favored 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.576 0.548 . . . . 10.0 110.359 -178.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.526 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -71.22 159.63 34.29 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 116.196 -0.456 . . . . 10.0 110.553 -179.755 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 40.2 t -114.19 130.63 68.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.146 0.498 . . . . 10.0 111.62 -178.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.541 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.1 tt -136.83 141.21 41.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 108.682 -0.859 . . . . 10.0 108.682 178.618 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 25.4 mt-10 -105.45 149.08 26.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.922 0.391 . . . . 10.0 111.749 -178.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.0 p -129.59 122.92 56.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.556 -0.747 . . . . 10.0 109.494 178.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -128.08 159.83 33.86 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.201 -0.454 . . . . 10.0 110.608 -179.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.0 tt0 -79.14 126.47 30.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.346 -0.388 . . . . 10.0 110.233 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.439 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.2 mm-40 -72.98 148.04 44.61 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.882 -0.599 . . . . 10.0 110.747 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -65.57 -17.37 64.53 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.118 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -69.94 -26.81 64.31 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.205 -0.452 . . . . 10.0 110.793 179.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.24 -35.24 3.74 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.856 -0.688 . . . . 10.0 112.112 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.923 0 CA-C-O 118.793 -1.004 . . . . 10.0 111.491 179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 26.7 p-10 . . . . . 0 N--CA 1.476 0.859 0 CA-C-O 120.577 0.227 . . . . 10.0 110.802 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 9.6 p30 -134.0 21.05 3.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.93 0.395 . . . . 10.0 110.514 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.496 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 0.1 OUTLIER -101.65 128.9 47.74 Favored 'General case' 0 C--O 1.237 0.44 0 CA-C-N 116.057 -0.52 . . . . 10.0 110.604 -179.765 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -129.46 110.5 17.73 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 10.0 111.129 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.546 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.2 Cg_endo -80.04 124.47 5.52 Favored 'Trans proline' 0 N--CA 1.462 -0.347 0 C-N-CA 122.823 2.348 . . . . 10.0 111.457 178.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.1 mt -120.12 122.95 69.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 N-CA-C 112.558 0.577 . . . . 10.0 112.558 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 28.5 t -108.34 120.95 60.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 109.131 -0.692 . . . . 10.0 109.131 178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.9 pt -88.29 170.27 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.041 0.448 . . . . 10.0 111.325 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 6.0 m -105.45 95.59 5.93 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.853 -0.612 . . . . 10.0 110.412 179.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.37 114.37 9.37 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.953 -0.567 . . . . 10.0 109.703 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -141.9 107.15 5.83 Favored Pre-proline 0 C--N 1.323 -0.563 0 CA-C-N 116.36 -0.382 . . . . 10.0 110.41 -179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_endo . . . . . 0 C--O 1.254 1.275 0 C-N-CA 122.539 2.159 . . . . 10.0 112.071 179.689 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 . . . . . 0 N--CA 1.479 0.976 0 N-CA-C 110.019 -0.363 . . . . 10.0 110.019 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mm -83.38 129.01 38.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 N-CA-C 109.913 -0.403 . . . . 10.0 109.913 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.531 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 3.8 ttpm? -100.0 112.61 24.89 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 121.273 0.558 . . . . 10.0 111.167 -179.254 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.2 mt -100.96 143.4 31.15 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.847 -0.615 . . . . 10.0 110.208 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.4 mtpp -96.92 108.26 20.93 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 120.741 0.305 . . . . 10.0 110.503 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.437 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.2 t -89.95 121.75 40.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 N-CA-C 109.672 -0.492 . . . . 10.0 109.672 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -103.07 120.53 53.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.038 -0.528 . . . . 10.0 111.682 -179.018 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.35 176.27 35.37 Favored Glycine 0 N--CA 1.447 -0.603 0 N-CA-C 111.363 -0.695 . . . . 10.0 111.363 178.458 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 22.0 tp60 -71.68 -20.09 61.99 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.015 0.436 . . . . 10.0 111.058 -179.44 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.57 5.78 30.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.192 -0.458 . . . . 10.0 110.539 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.8 m 63.67 72.29 0.47 Allowed 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.561 -0.745 . . . . 10.0 110.228 -179.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.7 179.46 4.06 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.924 -1.035 . . . . 10.0 110.322 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.474 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 1.0 OUTLIER -138.22 53.74 1.8 Allowed 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 10.0 109.423 179.109 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.437 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.8 mm -63.61 135.22 27.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.871 -0.604 . . . . 10.0 110.765 -178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . . . . . . . . . 59.9 m170 -109.36 99.83 9.02 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.389 -0.369 . . . . 10.0 110.501 -179.026 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -91.42 113.93 26.33 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.551 -0.295 . . . . 10.0 110.396 -179.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' HD2' HG22 ' B' ' 363' ' ' VAL . 86.4 mttt -89.05 102.42 15.07 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.044 0.449 . . . . 10.0 109.821 179.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.6 m -98.78 167.25 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.809 -178.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 50.4 tttt -103.43 124.25 48.37 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.574 -0.739 . . . . 10.0 110.283 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.524 ' O ' ' HB ' ' A' ' 41' ' ' THR . 54.6 tpp -80.65 74.77 7.56 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 121.19 0.519 . . . . 10.0 110.764 -179.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.524 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.7 t 174.79 -29.73 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.778 -0.647 . . . . 10.0 110.794 179.474 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.8 m -93.46 151.69 19.57 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.463 -0.335 . . . . 10.0 110.874 -179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.454 ' HA ' HG22 ' A' ' 76' ' ' THR . 59.8 m80 -63.3 149.03 46.66 Favored 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.021 178.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' HA ' HD23 ' A' ' 47' ' ' LEU . 47.8 mt -68.89 -6.98 30.54 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.751 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 37.1 tptt -56.37 -52.36 64.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.22 178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 10.5 tptp -66.7 -29.69 69.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.503 -0.772 . . . . 10.0 111.042 -179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.5 mm? -74.01 -44.47 54.41 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.436 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -60.15 -47.63 85.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.091 -0.504 . . . . 10.0 111.508 -179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -64.97 -39.16 93.07 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 121.154 -0.218 . . . . 10.0 110.961 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 63.3 m -63.07 -37.58 87.77 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.625 0.25 . . . . 10.0 110.909 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.445 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 44.3 t80 -65.75 -39.96 91.6 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 56.0 m -62.83 -43.1 99.68 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 109.475 -0.565 . . . . 10.0 109.475 179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 89.0 mt-30 -64.75 -38.79 92.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.733 -0.667 . . . . 10.0 110.052 179.049 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -61.32 -40.33 93.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.876 -0.602 . . . . 10.0 110.562 179.046 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.445 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.1 mm100 -78.33 -26.21 46.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.974 0.416 . . . . 10.0 110.58 179.631 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.17 34.07 7.35 Favored Glycine 0 N--CA 1.447 -0.58 0 C-N-CA 120.932 -0.651 . . . . 10.0 112.046 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.5 m -130.68 156.29 80.03 Favored Pre-proline 0 C--N 1.325 -0.487 0 N-CA-C 110.436 -0.209 . . . . 10.0 110.436 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 44.2 Cg_endo -68.58 163.77 35.58 Favored 'Trans proline' 0 N--CA 1.464 -0.246 0 C-N-CA 122.2 1.934 . . . . 10.0 111.124 178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 8.6 ttt -75.94 157.04 33.63 Favored 'General case' 0 C--N 1.323 -0.58 0 C-N-CA 120.825 -0.35 . . . . 10.0 110.816 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.3 t30 71.45 19.47 5.18 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.656 0.782 . . . . 10.0 111.596 179.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.3 p -97.95 -35.54 10.43 Favored 'General case' 0 C--N 1.323 -0.562 0 N-CA-C 108.934 -0.765 . . . . 10.0 108.934 178.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.9 mt -111.84 143.63 42.47 Favored 'General case' 0 N--CA 1.449 -0.512 0 CA-C-N 114.848 -1.069 . . . . 10.0 109.959 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.531 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.9 ptt180 -110.33 127.72 55.18 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.162 -0.472 . . . . 10.0 110.58 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.9 m-85 -91.76 119.96 32.06 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.761 -0.654 . . . . 10.0 109.905 179.504 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 83.0 mt -110.27 118.62 36.81 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-O 121.257 0.551 . . . . 10.0 111.372 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -119.21 111.76 18.64 Favored 'General case' 0 C--N 1.321 -0.641 0 N-CA-C 108.665 -0.865 . . . . 10.0 108.665 178.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 66.3 mm-40 62.7 26.79 15.83 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.2 0.524 . . . . 10.0 110.155 -178.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 94.5 -26.03 19.91 Favored Glycine 0 N--CA 1.451 -0.359 0 CA-C-N 115.895 -0.593 . . . . 10.0 112.973 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 94.4 mt-30 -85.43 138.45 32.24 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.669 0.271 . . . . 10.0 110.797 -179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.1 ptm180 -81.89 129.7 34.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.079 0.466 . . . . 10.0 110.137 179.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 46.0 mm -69.43 123.24 22.61 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 115.417 -0.81 . . . . 10.0 111.701 -179.35 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.86 166.44 18.95 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.78 -0.645 . . . . 10.0 109.834 178.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 7.9 m-20 -72.87 -27.57 61.99 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-O 120.911 0.386 . . . . 10.0 110.963 -179.591 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -92.41 11.91 24.5 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.275 -0.42 . . . . 10.0 111.464 -179.465 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 m170 -84.41 151.29 24.77 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.823 0.344 . . . . 10.0 110.394 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.454 HG22 ' HA ' ' A' ' 43' ' ' HIS . 70.9 p -126.25 158.02 68.08 Favored Pre-proline 0 C--N 1.321 -0.65 0 CA-C-N 116.154 -0.475 . . . . 10.0 109.992 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -68.9 -14.36 38.58 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.467 2.111 . . . . 10.0 112.101 179.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -71.79 -43.78 65.09 Favored 'General case' 0 N--CA 1.455 -0.179 0 CA-C-N 116.142 -0.481 . . . . 10.0 110.173 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.4 pt-20 -82.11 172.53 13.09 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.364 -0.606 . . . . 10.0 109.364 179.256 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 7.0 mt 74.25 -47.16 0.63 Allowed 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.107 0.563 . . . . 10.0 110.364 -179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 109.64 46.56 0.9 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 121.165 -0.541 . . . . 10.0 112.659 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.7 mtt -75.92 113.18 13.13 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.718 0.294 . . . . 10.0 110.644 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.554 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 31.6 mm-40 -109.06 175.49 5.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.237 -0.438 . . . . 10.0 110.703 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.531 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 15.7 tp10 -70.0 143.18 52.66 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.501 -0.555 . . . . 10.0 109.501 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 67.4 22.54 9.4 Favored 'General case' 0 C--O 1.233 0.202 0 O-C-N 123.479 0.487 . . . . 10.0 111.299 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.554 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.0 OUTLIER -77.85 159.74 28.75 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.432 -0.349 . . . . 10.0 110.361 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 98.2 t -109.13 130.68 61.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 121.14 0.495 . . . . 10.0 112.206 -178.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 18.6 tt -133.87 135.88 54.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 N-CA-C 109.001 -0.74 . . . . 10.0 109.001 178.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -105.33 152.7 22.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.942 0.401 . . . . 10.0 111.617 -178.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -134.36 124.4 45.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.898 -0.592 . . . . 10.0 110.657 179.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -130.59 169.08 16.07 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.895 -0.593 . . . . 10.0 109.891 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.6 tt0 -87.91 141.49 28.54 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 120.662 0.268 . . . . 10.0 110.692 -179.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.0 mm-40 -77.95 161.98 27.13 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.229 -0.441 . . . . 10.0 110.149 179.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -68.16 -21.91 64.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.087 0.47 . . . . 10.0 110.582 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -75.75 -32.51 60.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.856 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.02 10.11 86.42 Favored Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 121.077 -0.583 . . . . 10.0 112.523 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.104 -1.386 . . . . 10.0 111.446 -179.774 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 . . . . . 0 N--CA 1.481 1.099 0 CA-C-O 120.913 0.387 . . . . 10.0 110.354 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 24.1 p30 -134.4 27.46 3.75 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.218 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.474 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 8.5 ptp180 -103.94 138.83 39.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.824 -179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . 0.416 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 26.0 t0 -137.53 112.15 9.13 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 115.9 -0.591 . . . . 10.0 110.174 179.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' B' ' 360' ' ' ASP . 4.1 Cg_exo -73.98 105.22 1.98 Allowed 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.979 2.453 . . . . 10.0 112.725 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 48.1 mt -96.61 120.3 45.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.831 -0.622 . . . . 10.0 110.516 179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . 0.445 HG22 ' HD2' ' A' ' 37' ' ' LYS . 3.3 t -123.16 131.23 73.59 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.245 179.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.47 135.44 62.51 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -81.72 124.31 29.49 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.057 -0.519 . . . . 10.0 111.756 -179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -87.97 146.29 25.59 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.92 -0.582 . . . . 10.0 109.813 179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . 0.43 ' HA ' ' HD3' ' B' ' 368' ' ' PRO . 0.1 OUTLIER -136.5 141.45 35.69 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.545 -179.73 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . 0.43 ' HD3' ' HA ' ' B' ' 367' ' ' SER . 45.8 Cg_exo . . . . . 0 C--O 1.249 1.056 0 C-N-CA 123.054 2.503 . . . . 10.0 112.379 179.323 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 12.1 m-85 . . . . . 0 N--CA 1.478 0.973 0 CA-C-O 120.739 0.304 . . . . 10.0 110.433 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.5 mm -100.92 132.85 45.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.072 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.413 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 9.5 ttpp -114.38 99.48 7.61 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 10.0 110.661 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 76.4 mt -86.41 155.4 20.59 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.937 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.425 ' HG2' ' CD2' ' A' ' 35' ' ' HIS . 50.9 mtpt -109.48 108.79 19.41 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.351 -0.386 . . . . 10.0 110.733 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -95.19 114.33 31.53 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 N-CA-C 109.545 -0.539 . . . . 10.0 109.545 179.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.1 mm -84.21 113.43 22.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 120.978 0.418 . . . . 10.0 110.52 -179.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.77 169.13 42.32 Favored Glycine 0 N--CA 1.447 -0.578 0 CA-C-N 115.784 -0.644 . . . . 10.0 112.446 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 13.8 tp60 -62.38 -33.91 75.66 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.029 0.443 . . . . 10.0 110.489 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -81.49 21.87 0.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.966 -0.561 . . . . 10.0 111.475 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m 60.61 36.61 19.69 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.971 -0.558 . . . . 10.0 111.911 178.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.4 157.6 16.51 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 116.16 -0.473 . . . . 10.0 111.051 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.422 ' HB2' ' HG3' ' B' ' 359' ' ' ARG . 28.6 mt-10 -119.74 75.06 1.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 108.773 -0.825 . . . . 10.0 108.773 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.422 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 40.9 mm -66.81 124.37 21.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.758 -178.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.487 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 4.4 m170 -97.65 84.26 3.36 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.414 0.626 . . . . 10.0 110.096 -179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -79.26 114.02 17.86 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.371 -0.831 . . . . 10.0 110.332 -179.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 30.1 ttmt -88.29 109.58 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.149 0.499 . . . . 10.0 109.696 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.5 m -105.15 164.65 3.93 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.601 -0.727 . . . . 10.0 111.815 -178.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 72.5 tttt -105.92 118.63 37.09 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.334 -0.848 . . . . 10.0 109.542 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.6 tpp -74.07 78.3 1.72 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.333 0.587 . . . . 10.0 110.769 -179.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.2 t 175.74 -25.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.222 -0.899 . . . . 10.0 109.544 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -94.76 143.17 26.67 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.738 -0.665 . . . . 10.0 110.333 179.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 34.2 m80 -65.93 153.56 41.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.666 0.27 . . . . 10.0 110.617 179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -67.35 -8.51 33.12 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.178 -0.464 . . . . 10.0 111.714 -179.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 27.1 tptt -58.78 -52.61 64.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 10.0 110.399 179.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 35.7 tptt -68.0 -32.04 72.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.968 -0.56 . . . . 10.0 110.436 -179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 7.2 mp -66.07 -46.12 78.85 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.691 -0.686 . . . . 10.0 110.292 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.3 mtpt -62.6 -46.13 89.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.799 -0.637 . . . . 10.0 111.847 -179.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.4 pt-20 -68.08 -35.37 78.08 Favored 'General case' 0 N--CA 1.464 0.24 0 C-N-CA 120.807 -0.357 . . . . 10.0 111.309 -179.427 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 55.7 m -65.69 -36.65 84.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 120.911 0.386 . . . . 10.0 110.447 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -66.87 -36.37 82.15 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.175 -0.466 . . . . 10.0 110.049 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 61.5 m -63.35 -44.62 94.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.025 -0.534 . . . . 10.0 110.057 179.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 74.7 mt-30 -62.22 -34.78 77.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.936 -0.574 . . . . 10.0 110.511 179.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.5 ' HG2' HD13 ' B' ' 362' ' ' ILE . 22.4 tpt180 -66.8 -42.19 86.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.757 -0.656 . . . . 10.0 110.809 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.8 mm100 -78.91 -12.15 60.02 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.217 -179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 79.89 30.62 42.47 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.597 -0.811 . . . . 10.0 112.394 179.557 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.0 m -130.79 153.9 81.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 122.85 -0.206 . . . . 10.0 110.451 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_endo -70.76 165.63 31.47 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.281 1.987 . . . . 10.0 111.113 178.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.482 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 17.2 ttt -76.09 160.55 29.67 Favored 'General case' 0 C--N 1.323 -0.559 0 C-N-CA 120.913 -0.315 . . . . 10.0 110.307 -179.763 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.482 ' HB2' ' O ' ' A' ' 59' ' ' MET . 6.1 m-20 74.66 9.66 4.16 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.208 0.603 . . . . 10.0 111.604 179.492 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 47.5 p -92.66 -38.25 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.172 0.51 . . . . 10.0 110.557 179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.416 HD23 ' HA ' ' A' ' 92' ' ' GLN . 39.6 mt -113.51 148.37 36.17 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.708 -0.678 . . . . 10.0 110.714 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 18.7 ptt-85 -110.18 133.59 53.07 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.407 179.582 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 83.5 m-85 -94.66 118.74 32.2 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.809 -0.632 . . . . 10.0 109.52 179.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 89' ' ' GLU . 54.6 mt -106.82 130.47 54.51 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.109 0.481 . . . . 10.0 111.028 -179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 42.2 t80 -137.65 115.28 11.29 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.459 -0.791 . . . . 10.0 108.904 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 61.8 30.2 18.23 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.049 0.452 . . . . 10.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.07 -24.83 16.47 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 121.034 -0.603 . . . . 10.0 112.553 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -88.55 164.6 15.33 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 110.218 -0.29 . . . . 10.0 110.218 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -107.16 132.7 52.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.893 0.378 . . . . 10.0 110.331 179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.3 mm -67.89 122.54 19.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 115.722 -0.672 . . . . 10.0 111.389 -178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.56 174.71 11.3 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 115.66 -0.7 . . . . 10.0 111.0 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.474 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.3 m-20 -82.25 -15.41 53.14 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.019 0.437 . . . . 10.0 110.751 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.6 p-10 -109.27 20.78 17.91 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.991 -0.55 . . . . 10.0 110.591 -179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -86.83 148.05 25.55 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.436 -179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -119.23 142.05 31.61 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.535 -0.757 . . . . 10.0 109.409 178.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 34.8 Cg_exo -58.98 -15.81 29.31 Favored 'Trans proline' 0 C--N 1.351 0.678 0 C-N-CA 122.65 2.233 . . . . 10.0 113.002 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 1.7 tppt? -79.5 -21.41 45.32 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.108 0.48 . . . . 10.0 110.403 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.0 mt-10 -88.51 168.06 12.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 10.0 109.703 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.1 mt 71.82 -50.22 0.69 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 123.717 0.636 . . . . 10.0 111.145 -179.621 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 119.86 57.99 0.25 Allowed Glycine 0 N--CA 1.445 -0.755 0 N-CA-C 111.559 -0.616 . . . . 10.0 111.559 -179.706 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.3 mtt -84.63 122.77 29.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.893 0.378 . . . . 10.0 110.574 -179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -115.24 -175.67 2.75 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.839 -0.619 . . . . 10.0 110.677 -179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -76.9 142.98 39.9 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.084 -0.71 . . . . 10.0 109.084 179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' OE1' ' HD2' ' A' ' 25' ' ' LYS . 19.5 mm-40 60.85 33.29 20.02 Favored 'General case' 0 C--O 1.232 0.16 0 CA-C-O 121.02 0.438 . . . . 10.0 110.754 -178.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.41 158.43 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 10.0 110.215 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 21.3 t -107.48 130.7 59.28 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.134 0.492 . . . . 10.0 111.95 -178.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 17.0 tt -134.13 133.98 55.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 N-CA-C 108.533 -0.914 . . . . 10.0 108.533 178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . 1.7 mt-10 -100.44 151.93 20.96 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 120.978 0.418 . . . . 10.0 111.339 -178.171 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.23 118.94 18.59 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-N 115.878 -0.601 . . . . 10.0 109.973 179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 45.6 m-85 -130.67 165.0 23.78 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.198 -0.456 . . . . 10.0 110.652 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.416 ' HA ' HD23 ' A' ' 62' ' ' LEU . 17.9 tt0 -76.39 134.42 39.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.262 -0.426 . . . . 10.0 110.982 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.501 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.5 mm-40 -76.57 165.1 25.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.353 179.179 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.7 tt0 -65.82 -36.34 83.21 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.38 -0.373 . . . . 10.0 110.488 179.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 1.1 p -65.84 -48.64 70.97 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.7 179.338 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 89.83 8.63 67.1 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.895 -0.669 . . . . 10.0 112.813 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.856 -0.969 . . . . 10.0 112.032 179.789 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 42.5 p-10 -114.64 6.07 15.59 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.9 0.381 . . . . 10.0 111.344 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.422 ' HG3' ' HB2' ' A' ' 33' ' ' GLU . 28.8 mtt180 -106.65 126.6 52.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.015 -0.539 . . . . 10.0 111.131 -179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 22.2 t0 -128.33 111.19 19.58 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 115.756 -0.656 . . . . 10.0 110.234 -179.618 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.487 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 62.4 Cg_endo -76.31 134.82 16.07 Favored 'Trans proline' 0 C--O 1.236 0.375 0 C-N-CA 122.973 2.448 . . . . 10.0 112.481 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . 0.5 HD13 ' HG2' ' A' ' 54' ' ' ARG . 25.4 mt -135.6 125.77 42.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.404 -0.362 . . . . 10.0 110.974 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 14.1 t -108.3 134.13 51.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.484 -0.326 . . . . 10.0 110.248 179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 10.9 pt -87.64 172.93 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-O 121.061 0.457 . . . . 10.0 111.63 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 22.2 m -116.37 99.34 7.12 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.712 -0.676 . . . . 10.0 110.116 179.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -80.8 109.04 14.98 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.082 -0.508 . . . . 10.0 110.644 -179.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 1.7 p -132.37 109.45 13.64 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.688 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 21.9 Cg_exo . . . . . 0 C--O 1.248 0.979 0 C-N-CA 122.682 2.255 . . . . 10.0 111.823 179.397 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 67.0 m-85 . . . . . 0 N--CA 1.478 0.962 0 N-CA-C 109.839 -0.43 . . . . 10.0 109.839 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.502 ' HB ' ' CG2' ' A' ' 38' ' ' VAL . 16.2 mm -84.45 130.67 35.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.872 0.368 . . . . 10.0 110.476 -179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.482 ' HB2' ' OE2' ' A' ' 84' ' ' GLU . 5.0 mtpm? -103.76 111.22 23.64 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.059 -0.519 . . . . 10.0 110.909 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.7 130.27 45.9 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.081 -0.509 . . . . 10.0 109.726 178.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -91.48 113.88 26.27 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 120.933 0.397 . . . . 10.0 111.131 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.448 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.0 t -98.58 118.41 45.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.82 -0.627 . . . . 10.0 109.327 179.048 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.9 mm -95.57 119.04 43.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-O 120.836 0.35 . . . . 10.0 111.119 -179.024 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -94.62 165.57 26.02 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.747 -0.74 . . . . 10.0 111.649 179.04 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -64.59 -21.45 66.71 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.907 0.384 . . . . 10.0 110.908 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -86.54 13.39 8.54 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 10.0 110.624 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.1 m 66.19 40.0 4.01 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 115.692 -0.686 . . . . 10.0 111.44 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.87 154.58 19.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.735 -0.666 . . . . 10.0 110.096 179.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.484 ' HB2' ' HG2' ' B' ' 359' ' ' ARG . 37.5 mt-10 -125.51 69.37 1.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.976 -0.749 . . . . 10.0 108.976 179.686 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.448 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 35.9 mm -67.85 135.45 28.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.695 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.696 -178.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.541 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.8 OUTLIER -110.57 94.17 4.87 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.132 0.492 . . . . 10.0 110.013 -179.839 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -80.54 113.66 18.89 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 115.773 -0.649 . . . . 10.0 110.221 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -86.02 99.14 11.25 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 10.0 109.443 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.502 ' CG2' ' HB ' ' A' ' 22' ' ' ILE . 17.0 m -97.99 159.39 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.505 0.669 . . . . 10.0 112.337 -178.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.425 ' HG2' HG22 ' A' ' 41' ' ' THR . 86.3 tttt -102.63 118.35 36.65 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.061 -0.972 . . . . 10.0 109.801 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.545 ' O ' ' HB ' ' A' ' 41' ' ' THR . 60.0 tpp -76.51 84.41 3.21 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.803 0.335 . . . . 10.0 111.651 -178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.0 t 171.11 -36.47 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.578 -0.737 . . . . 10.0 109.84 178.478 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 4.3 m -87.28 143.88 27.06 Favored 'General case' 0 N--CA 1.45 -0.456 0 CA-C-N 116.158 -0.474 . . . . 10.0 110.274 179.628 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -61.72 152.5 30.96 Favored 'General case' 0 C--O 1.236 0.357 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.599 179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.433 HD12 ' HB3' ' A' ' 75' ' ' HIS . 6.4 mt -65.13 -8.43 16.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 10.0 111.646 -179.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 39.9 tptt -56.52 -48.32 77.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.113 0.482 . . . . 10.0 110.06 178.379 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 34.3 tptt -69.79 -31.96 70.17 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.501 -0.772 . . . . 10.0 110.852 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 44' ' ' LEU . 3.1 mm? -70.49 -44.99 66.53 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.018 -0.537 . . . . 10.0 111.18 -179.742 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 59.6 mtpt -60.08 -46.81 88.33 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.204 -0.453 . . . . 10.0 112.219 -179.151 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -66.88 -37.74 84.96 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 121.124 -0.231 . . . . 10.0 111.275 -179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.0 m -63.0 -38.46 91.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.729 0.3 . . . . 10.0 110.959 179.731 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 45.3 t80 -67.59 -40.64 84.81 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.728 0.299 . . . . 10.0 110.319 179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 60.9 m -61.92 -45.83 92.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.068 0.461 . . . . 10.0 110.104 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 96.9 mt-30 -68.47 -25.42 64.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.815 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.632 ' HG2' HD13 ' B' ' 362' ' ' ILE . 21.9 tpt180 -70.32 -41.67 72.94 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.483 -0.562 . . . . 10.0 109.483 178.483 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.9 mm100 -74.87 -26.53 59.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.66 -0.7 . . . . 10.0 110.398 179.385 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 95.97 29.41 8.59 Favored Glycine 0 N--CA 1.45 -0.432 0 C-N-CA 120.915 -0.659 . . . . 10.0 111.877 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -128.43 154.48 79.26 Favored Pre-proline 0 C--N 1.324 -0.533 0 N-CA-C 110.536 -0.172 . . . . 10.0 110.536 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_endo -66.99 169.31 15.2 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.342 2.028 . . . . 10.0 111.479 178.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 10.6 ttt -80.46 158.27 25.96 Favored 'General case' 0 C--N 1.324 -0.509 0 C-N-CA 120.893 -0.323 . . . . 10.0 110.456 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 t30 74.25 9.39 4.5 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 123.798 0.687 . . . . 10.0 111.387 179.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 52.5 p -90.59 -40.77 11.74 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.473 0.654 . . . . 10.0 109.61 178.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 34.7 mt -107.02 138.76 42.57 Favored 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 115.273 -0.876 . . . . 10.0 110.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.478 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.3 ptt-85 -102.15 126.98 49.26 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.175 0.512 . . . . 10.0 110.222 179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -91.34 117.92 30.07 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 115.679 -0.691 . . . . 10.0 109.284 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 52.0 mt -110.56 131.0 55.43 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.182 0.515 . . . . 10.0 111.3 -178.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -136.29 114.48 11.54 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.233 -0.894 . . . . 10.0 109.21 179.389 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 61.8 31.16 18.45 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.365 0.602 . . . . 10.0 110.699 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 90.55 -25.77 12.29 Favored Glycine 0 N--CA 1.451 -0.356 0 CA-C-N 115.693 -0.685 . . . . 10.0 113.182 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 60.1 mt-30 -85.13 152.06 23.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.673 0.273 . . . . 10.0 110.979 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -93.76 128.08 39.8 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.158 0.504 . . . . 10.0 109.932 178.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 49.7 mm -68.92 121.65 18.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 115.783 -0.644 . . . . 10.0 111.315 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.99 176.0 8.28 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.35 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.415 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 3.0 m-20 -84.2 -12.51 54.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.467 0.651 . . . . 10.0 110.06 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -105.4 27.35 8.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.387 -0.824 . . . . 10.0 109.547 178.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.1 OUTLIER -96.42 138.75 33.55 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.242 -0.89 . . . . 10.0 110.83 -179.601 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.63 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -116.4 139.47 25.39 Favored Pre-proline 0 C--N 1.32 -0.695 0 N-CA-C 109.223 -0.658 . . . . 10.0 109.223 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.2 Cg_exo -60.74 -7.8 8.13 Favored 'Trans proline' 0 N--CA 1.477 0.554 0 C-N-CA 122.657 2.238 . . . . 10.0 113.426 -179.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 4.2 tppp? -85.63 -16.79 38.09 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.488 -0.324 . . . . 10.0 111.331 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.63 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.2 pt-20 -103.32 176.01 5.29 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.939 -0.305 . . . . 10.0 110.642 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 72.11 -63.35 0.43 Allowed 'General case' 0 N--CA 1.468 0.46 0 O-C-N 123.844 0.715 . . . . 10.0 110.336 -179.364 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 136.16 59.79 0.06 OUTLIER Glycine 0 N--CA 1.448 -0.56 0 C-N-CA 121.137 -0.554 . . . . 10.0 112.056 179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.9 mtt -96.99 128.53 44.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.691 0.281 . . . . 10.0 110.373 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 8.2 mm-40 -132.75 179.09 6.37 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.411 -0.359 . . . . 10.0 110.788 179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE2' ' HB2' ' A' ' 23' ' ' LYS . 52.1 tp10 -65.06 137.04 57.44 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.93 -0.577 . . . . 10.0 110.657 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 37.2 mm-40 65.7 36.77 6.12 Favored 'General case' 0 C--O 1.234 0.271 0 O-C-N 123.713 0.633 . . . . 10.0 111.416 179.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.423 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -84.52 171.4 12.55 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.307 -0.406 . . . . 10.0 110.143 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 43.0 t -116.57 125.46 73.57 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-O 120.896 0.379 . . . . 10.0 111.323 -179.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 13.2 tt -128.11 136.25 60.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.944 -0.571 . . . . 10.0 109.514 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -102.47 151.97 21.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 120.874 0.369 . . . . 10.0 111.103 -178.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.9 p -140.22 123.24 16.99 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 115.908 -0.587 . . . . 10.0 109.929 179.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -134.15 160.93 36.31 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.6 tt0 -86.51 133.35 33.75 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.948 0.404 . . . . 10.0 110.697 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.478 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.7 mm-40 -73.38 155.35 39.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.049 -0.523 . . . . 10.0 110.382 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -66.42 -17.52 64.83 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.152 -0.476 . . . . 10.0 110.836 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -73.94 -18.06 60.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.147 -0.479 . . . . 10.0 111.488 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.7 -64.12 4.35 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.839 -0.696 . . . . 10.0 112.462 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.991 0 CA-C-O 118.99 -0.895 . . . . 10.0 111.077 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.9 p-10 . . . . . 0 N--CA 1.481 1.123 0 CA-C-O 121.001 0.429 . . . . 10.0 110.695 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 36.7 p-10 -110.15 20.39 17.93 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.14 0.495 . . . . 10.0 110.357 179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.484 ' HG2' ' HB2' ' A' ' 33' ' ' GLU . 91.9 mtt180 -111.6 162.85 14.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.995 -0.548 . . . . 10.0 111.455 -179.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -159.16 112.14 1.56 Allowed Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.836 -0.62 . . . . 10.0 110.358 179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.541 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.3 Cg_endo -82.1 115.84 2.69 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.443 2.095 . . . . 10.0 112.075 179.332 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . 0.632 HD13 ' HG2' ' A' ' 54' ' ' ARG . 24.2 mt -107.73 123.49 63.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.168 -0.469 . . . . 10.0 111.38 -179.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -101.61 131.58 49.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 109.725 -0.472 . . . . 10.0 109.725 179.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pp -94.36 169.6 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-O 121.113 0.482 . . . . 10.0 111.975 -179.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 3.4 m -111.37 125.23 53.63 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.508 -0.769 . . . . 10.0 109.963 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -114.82 127.21 55.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.4 -0.364 . . . . 10.0 110.73 -179.299 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 15.3 m -147.23 95.24 4.41 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.504 -0.316 . . . . 10.0 110.749 -179.571 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo . . . . . 0 C--O 1.247 0.961 0 C-N-CA 123.107 2.538 . . . . 10.0 112.179 179.615 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 . . . . . 0 N--CA 1.477 0.908 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 48.3 mm -95.89 126.54 48.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.238 -0.437 . . . . 10.0 110.446 -179.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.494 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 1.4 ttpm? -108.45 106.52 16.67 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.819 -0.437 . . . . 10.0 109.819 179.381 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 72.9 mt -90.62 137.74 32.12 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.986 -0.552 . . . . 10.0 111.077 -179.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.7 mttt -97.97 111.17 23.58 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.011 -0.54 . . . . 10.0 109.823 178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.429 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.8 t -92.57 119.94 41.02 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.646 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.654 -179.353 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 43.8 mm -95.49 113.08 29.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.48 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.47 170.8 41.05 Favored Glycine 0 N--CA 1.447 -0.575 0 C-N-CA 120.813 -0.708 . . . . 10.0 112.056 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 9.3 tp60 -63.78 -21.73 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.008 0.432 . . . . 10.0 111.007 -179.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -91.78 12.23 22.08 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.05 -0.523 . . . . 10.0 110.794 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.1 m 65.97 49.95 1.54 Allowed 'General case' 0 C--O 1.233 0.221 0 CA-C-N 115.942 -0.572 . . . . 10.0 110.85 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -92.47 167.34 12.02 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.832 -0.622 . . . . 10.0 110.418 179.526 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.545 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 15.5 tt0 -133.01 65.66 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 109.455 -0.572 . . . . 10.0 109.455 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.429 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 20.0 mm -68.03 134.75 29.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.033 -178.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.426 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 30.6 m170 -104.17 102.45 12.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.119 -0.491 . . . . 10.0 110.607 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.66 114.34 26.07 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.539 -0.301 . . . . 10.0 110.795 -179.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -89.82 102.79 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.876 -0.416 . . . . 10.0 109.876 179.39 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.5 m -109.2 160.48 8.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-O 121.024 0.44 . . . . 10.0 111.357 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -108.4 139.89 42.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.1 -0.5 . . . . 10.0 110.224 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.527 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.2 tpp -81.21 79.77 7.79 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.745 -179.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.527 ' HB ' ' O ' ' A' ' 40' ' ' MET . 13.7 t 169.54 -20.49 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 115.649 -0.705 . . . . 10.0 110.45 179.202 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -94.22 148.18 22.45 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.761 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 41.3 m80 -72.51 148.52 44.95 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 110.062 -0.347 . . . . 10.0 110.062 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.564 ' HA ' HD23 ' A' ' 47' ' ' LEU . 86.7 mt -73.6 -3.83 30.41 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.575 -0.284 . . . . 10.0 111.135 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 15.7 tttp -57.8 -53.48 57.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.312 -0.404 . . . . 10.0 110.373 178.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 21.7 tptt -64.0 -32.68 74.3 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 115.965 -0.561 . . . . 10.0 110.45 -179.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.564 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.9 mm? -64.99 -39.71 93.88 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.134 -0.484 . . . . 10.0 110.134 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -59.58 -50.67 72.99 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.018 -0.537 . . . . 10.0 110.754 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 0.7 OUTLIER -69.31 -36.46 77.01 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.149 -0.478 . . . . 10.0 111.459 -179.029 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 57.1 m -62.41 -40.94 98.14 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.793 0.33 . . . . 10.0 110.716 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 33.2 t80 -65.9 -37.78 87.0 Favored 'General case' 0 C--O 1.234 0.253 0 N-CA-C 109.82 -0.437 . . . . 10.0 109.82 179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 78.3 m -61.17 -42.96 99.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.982 -0.554 . . . . 10.0 110.0 179.186 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -66.69 -41.49 87.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.986 -0.552 . . . . 10.0 110.063 179.511 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 26.2 tpt180 -60.32 -40.97 92.48 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.884 -0.598 . . . . 10.0 111.351 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -84.26 -24.7 29.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.641 -0.254 . . . . 10.0 111.624 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 92.5 41.85 4.68 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.487 -0.863 . . . . 10.0 112.211 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 m -131.71 155.35 81.53 Favored Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 110.086 -0.339 . . . . 10.0 110.086 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 30.4 Cg_endo -66.08 167.14 18.79 Favored 'Trans proline' 0 CA--C 1.531 0.369 0 C-N-CA 122.307 2.005 . . . . 10.0 112.218 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -65.91 136.69 56.45 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.501 -0.318 . . . . 10.0 111.253 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 67.36 24.61 8.89 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.257 -0.883 . . . . 10.0 112.781 178.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.9 p -83.89 -29.51 27.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.47 0.652 . . . . 10.0 109.715 178.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.6 mt -115.84 138.87 50.74 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.173 -0.922 . . . . 10.0 110.457 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 21.3 ptt-85 -100.92 126.25 47.53 Favored 'General case' 0 C--N 1.321 -0.664 0 CA-C-N 116.047 -0.524 . . . . 10.0 109.838 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HB3' HD11 ' A' ' 88' ' ' ILE . 84.5 m-85 -91.71 116.08 28.59 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.084 -0.507 . . . . 10.0 109.649 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 69' ' ' GLN . 79.1 mt -103.03 118.52 36.99 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-O 121.29 0.567 . . . . 10.0 111.3 -178.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -123.8 112.4 17.26 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-N 115.349 -0.841 . . . . 10.0 108.888 179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 62.86 33.17 15.37 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.158 -0.474 . . . . 10.0 111.194 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.33 -17.42 51.99 Favored Glycine 0 CA--C 1.52 0.363 0 CA-C-N 115.943 -0.571 . . . . 10.0 113.473 179.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . 0.4 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 19.0 mt-30 -98.21 161.5 13.67 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 122.607 -0.349 . . . . 10.0 110.691 -179.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.54 129.97 50.85 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 47.5 mm -60.34 126.62 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 115.782 -0.644 . . . . 10.0 112.187 -179.281 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -90.05 163.81 14.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.617 -0.72 . . . . 10.0 110.094 178.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.493 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -68.98 -32.96 72.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.939 0.4 . . . . 10.0 111.54 -179.225 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.9 p-10 -90.54 4.28 51.64 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 122.265 -0.272 . . . . 10.0 111.551 -179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 m170 -72.48 144.08 48.18 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.213 0.53 . . . . 10.0 111.419 -179.329 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 42.0 p -118.79 158.68 46.94 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 115.521 -0.763 . . . . 10.0 109.317 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.464 ' HA ' ' SD ' ' A' ' 82' ' ' MET . 11.7 Cg_exo -70.91 -9.43 25.69 Favored 'Trans proline' 0 C--N 1.343 0.26 0 C-N-CA 122.145 1.897 . . . . 10.0 111.849 179.449 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -78.03 -40.59 38.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.844 -0.616 . . . . 10.0 110.922 -179.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 9.3 pt-20 -81.61 167.72 18.93 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 110.036 -0.357 . . . . 10.0 110.036 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.429 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 4.0 mt 73.35 -54.49 0.69 Allowed 'General case' 0 N--CA 1.465 0.297 0 O-C-N 123.766 0.666 . . . . 10.0 111.268 -179.588 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 118.05 79.39 0.68 Allowed Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.992 -0.623 . . . . 10.0 111.736 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.464 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 40.1 mtt -115.51 122.56 46.08 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.588 0.232 . . . . 10.0 110.478 -179.325 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.4 mm-40 -124.86 -176.69 3.61 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.993 0.425 . . . . 10.0 111.031 -179.515 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.494 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 3.9 tp10 -68.5 145.45 54.03 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.094 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 6.1 mm-40 67.95 21.84 8.78 Favored 'General case' 0 N--CA 1.465 0.304 0 O-C-N 123.461 0.475 . . . . 10.0 111.612 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.473 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -79.03 160.34 27.19 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 110.1 -0.333 . . . . 10.0 110.1 179.604 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.9 t -117.77 135.58 57.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-O 121.051 0.453 . . . . 10.0 111.842 -178.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 64' ' ' PHE . 19.7 tt -135.33 141.21 43.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.773 -0.649 . . . . 10.0 109.344 179.005 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -98.93 148.93 23.47 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.828 0.347 . . . . 10.0 111.28 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.4 p -129.95 122.66 54.85 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.202 -0.453 . . . . 10.0 110.187 179.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -132.8 157.38 45.13 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.237 -0.438 . . . . 10.0 109.849 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.1 tt0 -82.98 142.86 31.06 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.62 0.248 . . . . 10.0 110.764 -179.594 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -77.11 155.23 32.53 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.251 -0.431 . . . . 10.0 109.983 179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.87 -21.21 62.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.067 0.461 . . . . 10.0 110.332 -179.71 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -77.87 -5.86 52.35 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.046 -0.524 . . . . 10.0 111.42 179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.52 -63.64 4.38 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 120.927 -0.654 . . . . 10.0 112.472 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.792 0 CA-C-O 118.945 -0.92 . . . . 10.0 111.289 179.813 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 . . . . . 0 N--CA 1.48 1.069 0 CA-C-O 121.621 0.724 . . . . 10.0 110.61 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 31.6 p-10 -81.92 -9.32 59.62 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.656 -0.702 . . . . 10.0 111.242 -179.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.545 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.5 ptp85 -112.21 126.2 54.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.146 0.498 . . . . 10.0 111.922 -179.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -119.02 113.87 35.47 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 115.261 -0.881 . . . . 10.0 109.378 179.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.1 Cg_endo -79.93 123.45 5.19 Favored 'Trans proline' 0 CA--C 1.53 0.321 0 C-N-CA 122.659 2.24 . . . . 10.0 113.41 -179.368 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.1 mt -114.23 122.93 69.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.716 179.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.69 119.37 61.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.242 -0.436 . . . . 10.0 110.218 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -99.34 -178.13 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 116.404 -0.362 . . . . 10.0 111.112 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 11.8 m -117.68 138.1 52.22 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.323 -0.399 . . . . 10.0 110.693 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -114.05 131.87 56.22 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.06 -0.518 . . . . 10.0 110.348 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 15.1 m -151.8 83.76 5.18 Favored Pre-proline 0 C--N 1.325 -0.467 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.727 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo . . . . . 0 C--O 1.251 1.162 0 C-N-CA 122.548 2.166 . . . . 10.0 111.966 179.533 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.1 m-85 . . . . . 0 N--CA 1.479 1.008 0 CA-C-O 120.71 0.291 . . . . 10.0 110.379 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.9 mm -122.7 121.41 63.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 N-CA-C 109.203 -0.666 . . . . 10.0 109.203 178.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -101.97 96.39 7.0 Favored 'General case' 0 C--N 1.319 -0.739 0 CA-C-O 121.109 0.481 . . . . 10.0 111.181 -178.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 95.0 mt -83.22 150.66 26.06 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.705 -0.679 . . . . 10.0 110.257 179.691 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.4 mtpt -107.36 104.14 13.67 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.424 -0.353 . . . . 10.0 110.17 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.53 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.1 t -89.55 123.0 41.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 116.126 -0.488 . . . . 10.0 110.323 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.3 mm -91.51 114.02 28.01 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.972 -0.558 . . . . 10.0 110.714 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -81.74 169.23 50.37 Favored Glycine 0 N--CA 1.448 -0.527 0 CA-C-N 115.715 -0.675 . . . . 10.0 111.839 179.511 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -62.99 -28.93 70.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 10.0 111.196 -179.149 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -91.48 18.48 7.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.401 -0.363 . . . . 10.0 110.865 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m 63.62 49.85 2.91 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 115.664 -0.698 . . . . 10.0 111.074 179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -94.72 158.61 15.43 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.688 -0.687 . . . . 10.0 110.045 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.616 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.4 tt0 -117.54 77.78 1.17 Allowed 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.447 -0.575 . . . . 10.0 109.447 179.375 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.49 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 28.5 mm -74.77 127.16 36.35 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-N 116.226 -0.443 . . . . 10.0 110.329 -179.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.557 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 27.5 m170 -99.58 87.46 3.59 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.22 0.533 . . . . 10.0 110.196 -179.096 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -82.01 108.91 15.88 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.329 -179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.1 ttmt -85.92 97.42 10.22 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 179.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 11.8 m -95.27 162.4 2.46 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-O 121.292 0.567 . . . . 10.0 111.687 -178.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -105.52 120.52 41.85 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.593 -0.731 . . . . 10.0 109.595 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.469 ' O ' ' HB ' ' A' ' 41' ' ' THR . 59.0 tpp -70.56 83.21 0.6 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 10.0 111.258 -179.297 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.469 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.5 t 170.21 -30.71 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.298 -0.864 . . . . 10.0 109.63 179.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -81.66 138.25 35.32 Favored 'General case' 0 N--CA 1.448 -0.57 0 CA-C-N 115.919 -0.582 . . . . 10.0 110.574 -179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -63.79 145.69 55.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.601 -0.518 . . . . 10.0 109.601 179.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.99 -17.1 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.638 0.256 . . . . 10.0 111.157 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 29.6 tptt -54.88 -45.23 74.61 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.163 0.506 . . . . 10.0 109.938 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 12.8 tptp -70.34 -36.93 74.53 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.394 -0.821 . . . . 10.0 110.975 -179.481 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.416 ' HA ' HD13 ' A' ' 47' ' ' LEU . 3.2 mm? -68.25 -41.35 81.27 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.182 -0.463 . . . . 10.0 111.123 -179.256 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt -59.79 -47.5 85.44 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.28 -0.418 . . . . 10.0 111.574 -179.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 12.3 pt-20 -69.96 -39.52 75.94 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.966 -0.294 . . . . 10.0 111.454 -179.373 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 50.9 m -59.44 -37.81 79.07 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.879 0.371 . . . . 10.0 110.569 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 30.2 t80 -68.31 -40.78 81.6 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.418 -0.356 . . . . 10.0 110.139 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 66.7 m -61.5 -41.83 97.89 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.215 -0.448 . . . . 10.0 110.265 179.607 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.438 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 95.2 mt-30 -60.84 -41.53 95.98 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.912 -0.585 . . . . 10.0 110.906 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.35 -30.69 68.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.928 -0.578 . . . . 10.0 111.346 -179.552 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -79.94 -27.97 39.75 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.745 0.307 . . . . 10.0 110.957 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 96.35 18.68 30.21 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.51 -0.852 . . . . 10.0 112.316 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 19.0 m -122.07 153.5 61.08 Favored Pre-proline 0 C--N 1.323 -0.582 0 N-CA-C 110.513 -0.18 . . . . 10.0 110.513 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 43.0 Cg_endo -68.51 164.78 31.51 Favored 'Trans proline' 0 N--CA 1.462 -0.331 0 C-N-CA 122.48 2.12 . . . . 10.0 111.348 179.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.4 ttt -73.41 159.95 32.5 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 120.738 -0.385 . . . . 10.0 110.501 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 5.8 t30 70.3 20.41 6.17 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-N 115.898 -0.592 . . . . 10.0 111.481 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 63.2 p -102.82 -43.9 5.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.302 0.572 . . . . 10.0 110.215 179.32 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 42.7 mt -103.47 137.49 41.49 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.515 -0.766 . . . . 10.0 110.42 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.498 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 23.0 ptt-85 -106.41 132.55 52.31 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.109 0.481 . . . . 10.0 109.914 179.204 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.499 ' HB3' HD11 ' A' ' 88' ' ' ILE . 86.8 m-85 -91.5 118.44 30.58 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.891 -0.595 . . . . 10.0 110.064 179.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 81.0 mt -100.46 125.83 46.8 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.842 -0.617 . . . . 10.0 111.255 -178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 38.6 t80 -126.99 98.24 5.25 Favored 'General case' 0 C--N 1.317 -0.848 0 CA-C-N 115.176 -0.92 . . . . 10.0 109.259 179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 45.1 mm-40 63.18 24.42 14.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.036 -0.529 . . . . 10.0 111.772 179.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.25 -26.97 17.04 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.636 -0.793 . . . . 10.0 112.777 179.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -87.32 145.57 26.28 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.634 0.254 . . . . 10.0 110.634 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -94.79 117.9 30.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.028 0.442 . . . . 10.0 110.063 179.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 48.9 mm -56.82 126.74 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 115.442 -0.799 . . . . 10.0 112.191 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.05 168.7 13.06 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.885 -0.598 . . . . 10.0 109.874 179.285 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.87 -20.63 45.45 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.119 0.485 . . . . 10.0 110.714 -179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.3 p-10 -92.54 4.51 53.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.865 -0.607 . . . . 10.0 110.919 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.1 m170 -82.62 151.44 26.33 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.899 0.381 . . . . 10.0 111.099 -179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.556 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.96 150.2 68.42 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.092 -0.504 . . . . 10.0 109.649 179.252 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo -63.81 -8.67 16.29 Favored 'Trans proline' 0 N--CA 1.476 0.453 0 C-N-CA 122.693 2.262 . . . . 10.0 113.335 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -78.29 -20.86 50.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.988 0.423 . . . . 10.0 110.433 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.556 ' HG2' ' O ' ' A' ' 76' ' ' THR . 8.8 pt-20 -110.43 -179.4 3.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.187 -0.461 . . . . 10.0 110.235 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.1 mt 70.98 -10.07 0.79 Allowed 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 123.172 0.589 . . . . 10.0 112.105 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 80.76 53.48 3.99 Favored Glycine 0 N--CA 1.446 -0.663 0 C-N-CA 120.968 -0.634 . . . . 10.0 112.373 -179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.9 mtt -92.68 123.54 36.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.816 0.341 . . . . 10.0 110.314 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.518 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 5.1 mm-40 -127.49 178.53 6.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.907 -0.588 . . . . 10.0 110.919 -179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.54 ' O ' ' HB2' ' A' ' 85' ' ' GLU . 27.4 tp10 -70.17 135.38 49.06 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.882 -0.599 . . . . 10.0 109.424 179.169 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.54 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 13.0 mm-40 76.5 17.8 1.86 Allowed 'General case' 0 N--CA 1.468 0.471 0 O-C-N 123.785 0.678 . . . . 10.0 111.402 -179.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.518 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -72.97 143.17 47.73 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-O 120.952 0.406 . . . . 10.0 110.109 179.447 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 76.6 t -95.33 131.89 40.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 CA-C-N 115.985 -0.552 . . . . 10.0 111.759 -178.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.53 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 7.3 tt -136.02 124.95 38.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.684 -0.689 . . . . 10.0 109.365 178.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -97.22 155.26 16.93 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 120.772 0.32 . . . . 10.0 111.071 -178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.2 p -137.09 126.08 35.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.123 0.487 . . . . 10.0 110.631 179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 90.6 m-85 -133.77 158.12 44.13 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.041 -0.527 . . . . 10.0 109.68 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -87.71 137.9 31.93 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.727 -0.389 . . . . 10.0 111.083 -179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.498 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 4.2 mm-40 -71.46 164.26 26.14 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.629 -0.714 . . . . 10.0 110.09 179.39 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -75.0 -17.56 60.51 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.03 0.443 . . . . 10.0 110.523 -179.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.25 -34.61 77.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.141 -0.481 . . . . 10.0 110.895 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 96.6 -32.88 6.1 Favored Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 121.025 -0.607 . . . . 10.0 112.45 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.94 0 CA-C-O 118.859 -0.967 . . . . 10.0 111.21 -179.632 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 5.6 p-10 . . . . . 0 N--CA 1.48 1.073 0 CA-C-O 121.18 0.514 . . . . 10.0 110.533 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 23.9 p-10 -127.23 -5.52 6.05 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.932 -0.576 . . . . 10.0 110.751 179.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.616 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.4 ptp180 -110.92 153.78 25.0 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.822 -0.626 . . . . 10.0 111.655 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -148.73 106.99 3.48 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.346 -0.843 . . . . 10.0 109.75 179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.557 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 3.9 Cg_exo -79.55 135.45 11.71 Favored 'Trans proline' 0 C--O 1.234 0.291 0 C-N-CA 123.034 2.489 . . . . 10.0 113.438 -179.483 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 5.1 mt -134.66 138.77 48.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 115.848 -0.614 . . . . 10.0 110.519 179.602 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 1.7 t -119.95 152.68 22.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 109.485 -0.561 . . . . 10.0 109.485 179.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.1 pt -120.0 171.95 7.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 121.219 0.533 . . . . 10.0 111.792 -179.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 1.5 m -102.27 135.5 43.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.623 -0.717 . . . . 10.0 110.222 179.164 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -115.84 126.48 54.02 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.367 -0.379 . . . . 10.0 110.075 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 21.6 m -146.47 106.83 4.09 Favored Pre-proline 0 C--N 1.322 -0.62 0 CA-C-O 120.621 0.248 . . . . 10.0 110.78 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo . . . . . 0 C--O 1.252 1.175 0 C-N-CA 123.007 2.471 . . . . 10.0 112.347 179.593 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 45.8 m-85 . . . . . 0 N--CA 1.48 1.039 0 N-CA-C 110.005 -0.369 . . . . 10.0 110.005 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.42 ' O ' HG22 ' A' ' 38' ' ' VAL . 51.0 mm -69.41 117.48 12.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 109.768 -0.456 . . . . 10.0 109.768 179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -107.6 115.9 30.98 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 116.136 -0.484 . . . . 10.0 110.657 -179.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.5 mt -95.47 133.91 38.91 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.77 -0.65 . . . . 10.0 109.848 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.9 mtpt -97.89 102.93 14.82 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.079 -0.51 . . . . 10.0 110.319 -179.832 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.476 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 1.9 t -85.74 111.98 21.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-N 115.913 -0.585 . . . . 10.0 110.087 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.405 ' HA ' ' O ' ' A' ' 32' ' ' SER . 32.9 mm -91.1 117.32 34.12 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.656 0 CA-C-N 115.78 -0.646 . . . . 10.0 111.001 -179.516 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -87.99 162.96 32.95 Favored Glycine 0 N--CA 1.447 -0.598 0 C-N-CA 120.853 -0.689 . . . . 10.0 111.533 179.421 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -67.73 -16.25 64.04 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.69 0.281 . . . . 10.0 111.373 -179.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -92.69 21.23 5.67 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.797 0.332 . . . . 10.0 110.892 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 10.1 m 65.05 41.92 4.39 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.897 -0.592 . . . . 10.0 110.995 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 2.8 p -101.88 145.81 28.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.103 -0.499 . . . . 10.0 110.489 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.652 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 20.9 tt0 -119.49 80.99 1.65 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.24 0.543 . . . . 10.0 109.563 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.476 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 39.2 mm -74.68 126.38 35.38 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.693 -178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.55 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 18.3 m170 -98.89 87.45 3.74 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.278 0.561 . . . . 10.0 110.024 -179.657 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -86.61 113.26 22.35 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.61 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.2 ttmt -90.0 113.95 25.72 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.903 0.383 . . . . 10.0 109.978 179.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.42 HG22 ' O ' ' A' ' 22' ' ' ILE . 5.5 m -103.54 159.77 4.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.342 0.591 . . . . 10.0 111.471 -179.167 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -95.19 122.12 37.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 10.0 109.187 179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.572 ' O ' ' HB ' ' A' ' 41' ' ' THR . 6.7 tpt -73.5 74.23 1.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.259 -0.428 . . . . 10.0 111.283 -178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.572 ' HB ' ' O ' ' A' ' 40' ' ' MET . 6.7 t 168.06 -24.18 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.322 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.284 179.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 18.8 m -89.14 142.3 27.76 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.32 -0.4 . . . . 10.0 110.971 -179.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . 0.579 ' HA ' HG23 ' A' ' 76' ' ' THR . 0.3 OUTLIER -63.64 144.0 57.37 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.28 -0.418 . . . . 10.0 110.248 179.372 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.4 mt -67.86 -9.68 46.69 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.247 -0.433 . . . . 10.0 111.465 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 32.2 tptt -59.43 -45.75 90.67 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.063 -0.718 . . . . 10.0 109.063 177.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -66.66 -39.58 88.27 Favored 'General case' 0 N--CA 1.453 -0.285 0 CA-C-N 115.104 -0.953 . . . . 10.0 109.943 179.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.0 mm? -63.24 -47.26 83.2 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.673 -0.694 . . . . 10.0 111.058 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 60.3 mtpt -60.6 -50.4 73.66 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.946 -0.57 . . . . 10.0 112.307 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 25.1 pt-20 -67.23 -36.5 81.81 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.847 -0.341 . . . . 10.0 111.807 -178.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.2 m -70.63 -33.23 70.77 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.786 0.327 . . . . 10.0 110.691 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 57.3 t80 -66.68 -39.25 88.05 Favored 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.92 -0.4 . . . . 10.0 109.92 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 63.2 m -60.17 -40.5 90.16 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.08 -0.509 . . . . 10.0 109.831 179.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.448 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 76.3 mt-30 -63.96 -36.83 85.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.752 -0.658 . . . . 10.0 110.477 179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.52 ' HG2' HD13 ' B' ' 362' ' ' ILE . 15.7 tpt85 -64.1 -36.61 84.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.44 179.283 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -79.63 -18.9 50.45 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.051 -0.522 . . . . 10.0 110.449 179.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 88.3 27.73 24.57 Favored Glycine 0 N--CA 1.449 -0.483 0 C-N-CA 121.076 -0.583 . . . . 10.0 112.434 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.6 m -132.47 156.84 79.62 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.835 0.317 . . . . 10.0 110.546 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.73 167.61 26.06 Favored 'Trans proline' 0 N--CA 1.464 -0.222 0 C-N-CA 122.288 1.992 . . . . 10.0 111.669 179.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.434 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 19.9 ttt -75.09 162.77 28.24 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.668 -0.242 . . . . 10.0 110.558 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.434 ' HB2' ' O ' ' A' ' 59' ' ' MET . 5.1 m-20 72.47 15.55 5.09 Favored 'General case' 0 N--CA 1.469 0.517 0 C-N-CA 123.245 0.618 . . . . 10.0 111.558 179.358 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 30.5 p -99.15 -45.43 5.91 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.407 0.623 . . . . 10.0 109.649 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 41.5 mt -108.3 142.83 38.02 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.158 -0.928 . . . . 10.0 110.744 -179.523 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.464 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.5 ptt-85 -111.85 132.49 54.67 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.79 -0.641 . . . . 10.0 110.176 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.8 m-85 -95.22 121.76 37.21 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.11 -0.495 . . . . 10.0 110.129 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.0 mt -106.64 121.67 44.8 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.058 0.456 . . . . 10.0 111.131 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 45.0 t80 -127.93 117.75 22.34 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.392 -0.822 . . . . 10.0 109.096 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 12.9 mm-40 65.18 19.55 11.77 Favored 'General case' 0 CA--C 1.53 0.21 0 O-C-N 123.431 0.457 . . . . 10.0 111.645 179.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.39 -22.68 38.87 Favored Glycine 0 N--CA 1.45 -0.408 0 C-N-CA 120.872 -0.68 . . . . 10.0 112.198 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -94.12 169.97 9.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.489 0.185 . . . . 10.0 110.54 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.82 134.25 49.23 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 109.758 -0.46 . . . . 10.0 109.758 179.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 42.2 mm -65.35 119.01 8.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-N 115.998 -0.546 . . . . 10.0 111.182 -179.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -77.52 167.09 22.2 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.12 -0.491 . . . . 10.0 110.722 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.6 m-20 -74.78 -27.92 60.53 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-O 121.026 0.441 . . . . 10.0 110.77 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 21.2 p-10 -98.31 25.1 6.53 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.989 -0.55 . . . . 10.0 110.622 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.96 154.1 17.51 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.087 -0.506 . . . . 10.0 111.022 -179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.579 HG23 ' HA ' ' A' ' 43' ' ' HIS . 0.0 OUTLIER -139.56 153.35 70.36 Favored Pre-proline 0 C--N 1.321 -0.645 0 CA-C-N 115.825 -0.625 . . . . 10.0 109.665 179.438 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . 0.557 ' HB2' ' SD ' ' A' ' 40' ' ' MET . 20.9 Cg_exo -65.55 -8.62 19.71 Favored 'Trans proline' 0 C--N 1.348 0.536 0 C-N-CA 122.395 2.063 . . . . 10.0 111.869 179.391 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 32.6 tptt -73.56 -17.54 61.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.468 -0.787 . . . . 10.0 110.792 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.534 ' HG2' ' O ' ' A' ' 76' ' ' THR . 4.6 pt-20 -118.82 175.91 5.53 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.136 -0.32 . . . . 10.0 110.136 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 72.48 -60.89 0.52 Allowed 'General case' 0 N--CA 1.468 0.436 0 O-C-N 123.796 0.685 . . . . 10.0 111.009 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.37 76.15 0.19 Allowed Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 121.087 -0.578 . . . . 10.0 111.767 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.511 ' SD ' ' HA ' ' A' ' 77' ' ' PRO . 62.2 mtt -110.98 120.04 41.05 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 110.171 -0.307 . . . . 10.0 110.171 -179.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 40.2 mt-10 -118.23 -172.87 2.34 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.213 0.53 . . . . 10.0 111.244 -179.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -72.72 141.01 48.18 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.652 -0.704 . . . . 10.0 109.695 178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 18.7 mm-40 66.56 23.44 10.4 Favored 'General case' 0 C--O 1.233 0.232 0 O-C-N 123.672 0.608 . . . . 10.0 111.153 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.412 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.5 OUTLIER -75.93 133.42 40.5 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.951 -0.388 . . . . 10.0 109.951 179.76 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 61.8 t -89.63 133.02 32.84 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.663 0 CA-C-O 121.234 0.54 . . . . 10.0 111.983 -178.528 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.419 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 20.4 tt -133.91 146.84 30.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 N-CA-C 108.294 -1.002 . . . . 10.0 108.294 178.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -112.96 156.9 22.22 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.817 0.342 . . . . 10.0 111.49 -178.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 11.5 p -134.38 131.48 54.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.974 -0.557 . . . . 10.0 110.532 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -134.78 173.54 11.57 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.874 -0.603 . . . . 10.0 109.976 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -98.01 140.21 32.68 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 120.698 0.285 . . . . 10.0 110.768 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.464 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.9 mm-40 -73.04 155.08 40.14 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.285 -0.416 . . . . 10.0 110.023 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 27.2 mt-30 -61.91 -30.89 71.19 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 10.0 111.42 -179.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.21 -9.41 59.19 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.234 -0.439 . . . . 10.0 111.842 -179.525 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 82.95 -38.51 2.7 Favored Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.933 -0.651 . . . . 10.0 112.397 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -1.004 0 CA-C-O 118.891 -0.949 . . . . 10.0 110.835 179.781 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 . . . . . 0 N--CA 1.48 1.063 0 CA-C-O 121.036 0.446 . . . . 10.0 110.247 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 39.6 p30 -139.36 12.48 2.57 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.392 -0.367 . . . . 10.0 111.129 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.652 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.1 ptp180 -108.06 137.06 46.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.379 -0.373 . . . . 10.0 111.308 -179.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -143.07 118.33 6.44 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.92 -0.582 . . . . 10.0 110.194 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.55 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 69.0 Cg_endo -78.23 128.07 8.73 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.688 2.259 . . . . 10.0 113.03 -179.72 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . 0.52 HD13 ' HG2' ' A' ' 54' ' ' ARG . 12.7 mt -128.79 134.15 64.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 10.0 111.093 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 2.4 t -123.11 150.64 27.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 2.2 pt -116.66 173.89 3.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.81 0.338 . . . . 10.0 111.299 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 1.4 m -102.05 113.93 27.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.09 -0.505 . . . . 10.0 110.846 179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -73.39 103.75 4.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.057 -0.52 . . . . 10.0 109.909 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.98 105.25 7.35 Favored Pre-proline 0 C--N 1.324 -0.542 0 CA-C-N 116.055 -0.52 . . . . 10.0 111.017 -179.096 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 71.8 Cg_endo . . . . . 0 C--O 1.247 0.969 0 C-N-CA 122.632 2.221 . . . . 10.0 111.527 178.602 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.181 -0.303 . . . . 10.0 110.181 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.405 ' O ' HG22 ' A' ' 38' ' ' VAL . 32.8 mm -90.08 123.83 42.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 N-CA-C 109.622 -0.51 . . . . 10.0 109.622 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.407 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -105.13 119.85 40.06 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.046 0.451 . . . . 10.0 110.796 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 75.3 mt -103.04 142.47 34.05 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.279 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 9.2 mtpp -100.24 103.42 14.87 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.249 -0.432 . . . . 10.0 110.448 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.474 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.3 t -87.14 112.01 22.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 109.325 -0.62 . . . . 10.0 109.325 179.433 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.481 ' HA ' ' O ' ' A' ' 32' ' ' SER . 37.9 mm -94.05 116.58 35.63 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.636 0 CA-C-N 116.179 -0.464 . . . . 10.0 110.977 -179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.9 169.7 37.08 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.657 -0.701 . . . . 10.0 112.034 179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 25.9 tp60 -64.2 -26.8 68.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.967 0.413 . . . . 10.0 111.089 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -87.1 20.91 2.52 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.03 -0.532 . . . . 10.0 111.161 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 27.4 m 56.72 55.18 6.53 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.444 0.64 . . . . 10.0 111.78 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.481 ' O ' ' HA ' ' A' ' 27' ' ' ILE . 0.1 OUTLIER -111.05 138.93 46.86 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.549 -0.751 . . . . 10.0 109.645 178.881 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.505 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 29.5 tt0 -109.09 87.49 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.271 0.558 . . . . 10.0 109.967 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.474 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 22.6 mm -78.71 122.91 34.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-N 115.743 -0.662 . . . . 10.0 110.015 -179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 19.4 m170 -97.77 86.43 3.78 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.152 -179.335 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -86.45 119.33 26.6 Favored 'General case' 0 C--N 1.318 -0.794 0 CA-C-N 116.248 -0.433 . . . . 10.0 110.801 -179.252 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -88.31 104.63 16.93 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.833 -0.803 . . . . 10.0 108.833 178.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 22' ' ' ILE . 6.1 m -99.17 163.22 2.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-O 121.6 0.714 . . . . 10.0 112.112 -178.172 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.4 tttt -94.71 123.94 38.45 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 114.935 -1.03 . . . . 10.0 109.871 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 3.9 tpt -79.37 63.27 3.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.131 0.491 . . . . 10.0 110.877 -179.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 9.0 t -176.84 -29.92 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 115.716 -0.674 . . . . 10.0 110.846 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -89.05 148.39 23.75 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.811 0.338 . . . . 10.0 110.69 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -66.03 154.16 40.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.156 -0.475 . . . . 10.0 110.425 179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.556 ' HA ' HD23 ' A' ' 47' ' ' LEU . 29.7 mt -66.55 -10.37 44.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.199 -0.455 . . . . 10.0 111.488 -179.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 48.9 tptt -57.47 -45.73 84.47 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.162 0.506 . . . . 10.0 109.958 178.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.3 tptt -65.88 -33.62 76.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.317 -0.856 . . . . 10.0 111.117 -179.424 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.556 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.0 mm? -76.4 -45.42 31.78 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.226 -0.443 . . . . 10.0 111.277 -179.061 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -62.07 -44.93 95.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.148 -0.478 . . . . 10.0 111.991 -178.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.8 pt-20 -65.29 -39.6 92.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.556 0.217 . . . . 10.0 111.429 -179.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.431 ' HB3' HG21 ' B' ' 364' ' ' ILE . 17.5 m -71.22 -33.24 69.7 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.667 0.27 . . . . 10.0 111.237 -179.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -63.87 -38.49 91.27 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.887 -0.412 . . . . 10.0 109.887 179.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.526 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 60.2 m -62.37 -41.05 98.32 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.857 -0.611 . . . . 10.0 110.081 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.63 -40.01 95.65 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.252 0.549 . . . . 10.0 110.133 179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -64.73 -40.65 95.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.535 -0.757 . . . . 10.0 110.612 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -72.53 -29.49 63.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.895 179.706 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 94.41 28.68 10.24 Favored Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 120.849 -0.691 . . . . 10.0 112.066 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.43 ' O ' ' HB3' ' A' ' 52' ' ' CYS . 4.8 m -136.28 153.22 76.32 Favored Pre-proline 0 C--N 1.323 -0.578 0 N-CA-C 110.187 -0.301 . . . . 10.0 110.187 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 20.3 Cg_endo -63.45 161.98 29.21 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.28 1.987 . . . . 10.0 111.987 178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.526 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 18.4 ttt -70.84 153.52 42.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.408 -0.36 . . . . 10.0 110.652 -179.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.514 ' HB2' ' O ' ' A' ' 59' ' ' MET . 1.8 m-20 81.3 -9.0 1.33 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.931 0.892 . . . . 10.0 111.884 179.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 17.8 m -75.41 -28.06 59.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.221 0.534 . . . . 10.0 109.934 178.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.0 mt -113.04 135.84 53.35 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.507 -0.77 . . . . 10.0 110.222 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.404 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 17.5 ptt-85 -102.9 132.97 48.74 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.151 -0.477 . . . . 10.0 110.151 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.442 ' HB2' ' HB ' ' A' ' 71' ' ' ILE . 46.4 m-85 -95.33 117.13 29.76 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.815 -0.629 . . . . 10.0 109.895 179.769 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.5 mt -104.84 118.34 36.31 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-O 121.175 0.512 . . . . 10.0 110.775 -179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 50.6 t80 -136.93 123.78 21.31 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.563 -0.744 . . . . 10.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 23.6 mm-40 63.71 17.92 10.77 Favored 'General case' 0 N--CA 1.465 0.309 0 O-C-N 123.403 0.439 . . . . 10.0 110.853 -179.657 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.94 -8.34 80.01 Favored Glycine 0 N--CA 1.448 -0.54 0 C-N-CA 121.108 -0.567 . . . . 10.0 111.997 -179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 53.8 mt-30 -100.81 165.97 11.09 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.859 0.361 . . . . 10.0 110.57 -179.596 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.2 mtm180 -95.59 122.26 38.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.965 -0.561 . . . . 10.0 109.632 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.442 ' HB ' ' HB2' ' A' ' 64' ' ' PHE . 32.9 mm -68.37 116.6 8.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.028 0.442 . . . . 10.0 110.778 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.33 162.23 18.32 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.809 -0.632 . . . . 10.0 110.834 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 -68.85 -22.34 64.22 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.835 -0.62 . . . . 10.0 111.697 -179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 6.3 p-10 -93.52 5.1 52.71 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.273 -0.421 . . . . 10.0 111.174 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 8.8 m170 -82.19 149.76 27.74 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 121.144 0.497 . . . . 10.0 111.025 -179.5 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.572 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -123.5 143.14 40.73 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.625 -0.716 . . . . 10.0 109.763 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -60.95 -13.69 28.68 Favored 'Trans proline' 0 C--N 1.348 0.537 0 C-N-CA 122.587 2.191 . . . . 10.0 113.043 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.04 -22.34 49.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.369 -0.378 . . . . 10.0 111.289 -179.772 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.572 ' HG2' ' O ' ' A' ' 76' ' ' THR . 13.8 pt-20 -106.19 179.3 4.31 Favored 'General case' 0 C--N 1.324 -0.524 0 N-CA-C 110.173 -0.306 . . . . 10.0 110.173 -179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 54.7 mt 71.08 -61.86 0.47 Allowed 'General case' 0 N--CA 1.468 0.439 0 O-C-N 123.751 0.657 . . . . 10.0 111.064 -179.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 140.79 72.18 0.04 OUTLIER Glycine 0 N--CA 1.445 -0.7 0 C-N-CA 120.801 -0.714 . . . . 10.0 112.389 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 54.1 mtt -116.88 123.51 47.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.926 0.393 . . . . 10.0 110.548 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 26.1 mt-10 -130.1 -171.05 2.44 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.997 -0.547 . . . . 10.0 110.237 179.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.407 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 13.7 tp10 -73.73 144.76 45.57 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.848 -0.427 . . . . 10.0 109.848 179.523 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 62.74 30.24 16.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.016 -0.538 . . . . 10.0 110.933 -179.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -80.24 154.11 28.1 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.363 -0.381 . . . . 10.0 110.426 179.825 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 22.8 t -110.37 132.03 59.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 116.184 -0.462 . . . . 10.0 111.681 -178.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.7 tt -136.99 142.29 38.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 10.0 109.17 178.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 68.0 mt-10 -109.56 153.03 24.73 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 120.982 0.42 . . . . 10.0 111.046 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.2 p -136.31 134.1 49.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.987 -0.552 . . . . 10.0 110.124 179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 72.2 m-85 -137.95 171.39 14.49 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.553 -0.294 . . . . 10.0 110.616 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.6 tt0 -88.62 136.86 32.78 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.503 -0.317 . . . . 10.0 110.799 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.404 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 9.2 mm-40 -77.93 151.26 33.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.03 179.644 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.8 tt0 -60.17 -36.56 77.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.815 -0.629 . . . . 10.0 111.606 -179.337 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -69.08 -27.51 65.68 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.039 0.447 . . . . 10.0 111.185 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 84.51 2.63 88.86 Favored Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.722 -0.751 . . . . 10.0 111.326 -178.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.245 0.829 0 CA-C-O 118.934 -0.926 . . . . 10.0 111.035 -179.966 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 . . . . . 0 N--CA 1.48 1.054 0 CA-C-O 120.582 0.229 . . . . 10.0 110.491 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 44.4 p30 -164.77 20.9 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.795 0.331 . . . . 10.0 111.162 179.662 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.505 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 31.8 mtp180 -101.78 123.23 45.39 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.384 -0.371 . . . . 10.0 110.673 -179.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -128.7 108.54 18.72 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 116.653 -0.249 . . . . 10.0 110.978 -179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.573 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.9 Cg_exo -77.31 124.93 7.43 Favored 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.877 2.385 . . . . 10.0 112.156 179.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 23.1 mt -122.08 130.21 74.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.406 -0.361 . . . . 10.0 111.788 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 12.5 t -130.04 129.72 65.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 109.243 -0.651 . . . . 10.0 109.243 178.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . 0.431 HG21 ' HB3' ' A' ' 50' ' ' SER . 1.1 pt -116.4 160.82 15.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.869 0.366 . . . . 10.0 111.238 -179.503 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.7 m -90.15 148.35 23.03 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.047 -0.524 . . . . 10.0 110.951 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -88.37 159.29 18.11 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.987 -0.551 . . . . 10.0 110.224 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 8.5 p -156.62 82.4 3.36 Favored Pre-proline 0 C--N 1.324 -0.5 0 CA-C-N 116.446 -0.343 . . . . 10.0 110.983 -179.505 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_exo . . . . . 0 C--O 1.252 1.201 0 C-N-CA 123.39 2.727 . . . . 10.0 111.999 179.32 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.1 m-85 . . . . . 0 N--CA 1.482 1.151 0 N-CA-C 110.176 -0.305 . . . . 10.0 110.176 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.3 mm -106.22 117.14 51.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 N-CA-C 109.8 -0.445 . . . . 10.0 109.8 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.41 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.3 ttpm? -104.5 117.17 33.49 Favored 'General case' 0 C--N 1.318 -0.792 0 CA-C-O 120.882 0.373 . . . . 10.0 110.788 -179.297 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 64.7 mt -103.76 136.22 43.86 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.011 -0.54 . . . . 10.0 110.731 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HG2' ' NE2' ' A' ' 35' ' ' HIS . 8.1 mttm -90.76 109.94 21.13 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.009 -0.541 . . . . 10.0 110.255 179.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.6 t -97.05 112.55 29.31 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 116.483 -0.326 . . . . 10.0 110.342 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 46.0 mm -81.41 119.85 31.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.195 -0.457 . . . . 10.0 110.844 -179.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -91.53 169.16 32.58 Favored Glycine 0 N--CA 1.447 -0.583 0 C-N-CA 121.112 -0.566 . . . . 10.0 112.682 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 17.3 tp60 -65.71 -32.06 73.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.894 0.378 . . . . 10.0 111.454 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -89.75 29.75 1.13 Allowed 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.493 -0.321 . . . . 10.0 111.395 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.3 m 63.09 30.74 16.12 Favored 'General case' 0 N--CA 1.462 0.168 0 CA-C-N 116.123 -0.49 . . . . 10.0 110.694 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.428 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 0.3 OUTLIER -85.39 158.09 20.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.946 -0.57 . . . . 10.0 110.664 -179.833 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 18.7 tt0 -133.88 75.8 1.62 Allowed 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.315 -0.624 . . . . 10.0 109.315 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 14.4 mm -70.87 130.34 34.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 CA-C-N 115.792 -0.64 . . . . 10.0 110.009 -179.113 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.7 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.8 m170 -104.66 98.25 8.03 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.106 0.479 . . . . 10.0 110.981 -179.069 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.62 122.07 32.41 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 116.291 -0.413 . . . . 10.0 110.102 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.0 ttmt -94.88 100.89 12.68 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 109.464 -0.569 . . . . 10.0 109.464 179.642 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.2 m -101.04 167.85 2.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.747 -0.66 . . . . 10.0 111.102 -178.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -112.05 133.17 54.38 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.06 -0.518 . . . . 10.0 109.887 179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.555 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.3 tpp -74.95 83.94 2.23 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.43 -0.35 . . . . 10.0 110.474 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.555 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 171.1 -26.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.651 -0.704 . . . . 10.0 109.94 179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.8 m -93.36 145.0 24.79 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-N 116.278 -0.419 . . . . 10.0 110.983 -179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 73.4 m80 -70.01 150.56 46.52 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.13 -0.486 . . . . 10.0 110.097 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 22.2 mt -66.85 -9.61 39.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.311 -0.404 . . . . 10.0 110.988 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.424 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 9.8 tptt -52.96 -53.13 54.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.704 -0.68 . . . . 10.0 110.841 178.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.58 -30.97 68.86 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.742 -0.663 . . . . 10.0 111.342 -178.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 47' ' ' LEU . 2.8 mm? -70.85 -41.96 70.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.419 -0.355 . . . . 10.0 111.074 -179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.9 mtpt -61.8 -44.68 96.39 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.166 -0.47 . . . . 10.0 111.591 -179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -70.67 -35.42 72.83 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.763 -0.375 . . . . 10.0 110.89 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 70.2 m -64.96 -36.8 85.57 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 120.857 0.361 . . . . 10.0 110.418 179.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 75.8 t80 -65.36 -39.35 92.22 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.318 -0.401 . . . . 10.0 110.104 179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.9 m -59.56 -41.98 91.41 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.916 -0.584 . . . . 10.0 110.183 179.214 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -64.56 -39.09 93.12 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.52 179.674 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 22.2 tpt85 -65.91 -29.84 70.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.96 -0.564 . . . . 10.0 110.298 179.346 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -87.95 -11.86 46.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.998 -0.546 . . . . 10.0 110.889 179.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.82 26.96 65.78 Favored Glycine 0 N--CA 1.452 -0.268 0 CA-C-N 115.938 -0.574 . . . . 10.0 113.03 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.0 m -131.92 152.01 79.53 Favored Pre-proline 0 C--N 1.325 -0.457 0 N-CA-C 110.44 -0.208 . . . . 10.0 110.44 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_endo -67.81 165.06 29.13 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.271 1.981 . . . . 10.0 111.995 179.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.414 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 8.4 ttt -70.99 165.95 22.36 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.851 0.358 . . . . 10.0 111.474 -179.216 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.414 ' HB2' ' O ' ' A' ' 59' ' ' MET . 2.2 m120 74.97 0.91 3.66 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.421 -0.808 . . . . 10.0 112.075 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 36.5 p -87.96 -43.8 11.49 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.302 0.573 . . . . 10.0 110.194 179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.2 mt -103.06 138.46 39.88 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.557 -0.747 . . . . 10.0 111.143 -179.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.413 ' HD3' ' NH1' ' A' ' 70' ' ' ARG . 13.9 ptt-85 -107.89 137.19 46.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.893 -0.594 . . . . 10.0 110.311 179.571 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -99.7 120.5 39.81 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.207 -0.451 . . . . 10.0 110.345 179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 89.4 mt -112.06 107.03 15.84 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.965 -0.562 . . . . 10.0 111.072 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 78.4 t80 -114.55 117.06 29.86 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.75 -0.659 . . . . 10.0 109.343 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 58.9 mm-40 64.17 19.62 11.85 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.13 0.49 . . . . 10.0 110.379 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.27 -8.33 79.43 Favored Glycine 0 N--CA 1.448 -0.526 0 CA-C-N 115.722 -0.672 . . . . 10.0 112.002 -179.543 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 86.4 mm-40 -93.44 147.67 22.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.981 0.419 . . . . 10.0 110.83 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.413 ' NH1' ' HD3' ' A' ' 63' ' ' ARG . 3.7 mmm180 -83.3 108.48 16.54 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.848 -0.615 . . . . 10.0 109.735 179.472 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 25.4 mm -60.82 118.28 3.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.192 0.52 . . . . 10.0 111.91 -179.136 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.0 169.02 15.41 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.813 -0.63 . . . . 10.0 110.205 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.424 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 14.3 m-20 -73.92 -34.67 64.44 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.011 0.434 . . . . 10.0 111.394 -179.344 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 -85.2 7.25 22.61 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.258 -0.428 . . . . 10.0 111.687 -178.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.6 m170 -79.38 143.75 34.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.033 0.445 . . . . 10.0 111.035 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -121.2 146.28 44.09 Favored Pre-proline 0 C--N 1.321 -0.639 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.154 179.608 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.1 Cg_exo -63.25 -11.78 27.04 Favored 'Trans proline' 0 C--N 1.345 0.358 0 C-N-CA 122.448 2.099 . . . . 10.0 112.015 179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.1 tppt? -67.65 -37.5 82.51 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.582 -0.736 . . . . 10.0 110.572 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 80' ' ' LEU . 1.1 pt-20 -97.72 -177.07 3.66 Favored 'General case' 0 C--O 1.234 0.276 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 179.615 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.412 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 25.2 mt 71.18 -60.53 0.51 Allowed 'General case' 0 N--CA 1.467 0.377 0 O-C-N 123.529 0.518 . . . . 10.0 110.695 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 128.51 64.54 0.12 Allowed Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 121.095 -0.574 . . . . 10.0 112.352 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.1 mtt -99.63 126.8 45.7 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 110.704 179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -129.53 -173.4 3.0 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.68 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.41 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 8.7 tp10 -77.0 145.35 38.1 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.781 -0.645 . . . . 10.0 110.055 179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 66.73 23.19 10.21 Favored 'General case' 0 N--CA 1.465 0.292 0 O-C-N 123.747 0.655 . . . . 10.0 111.611 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -79.55 163.94 24.26 Favored 'General case' 0 C--O 1.233 0.233 0 N-CA-C 110.109 -0.33 . . . . 10.0 110.109 179.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 28.7 t -120.72 134.89 62.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.012 0.434 . . . . 10.0 111.55 -178.182 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.1 tt -134.19 134.34 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 N-CA-C 108.993 -0.743 . . . . 10.0 108.993 178.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -98.06 145.92 26.05 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.951 0.405 . . . . 10.0 111.735 -178.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 10.6 p -131.54 131.4 62.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.924 -0.58 . . . . 10.0 109.794 178.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -138.07 163.74 30.86 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.19 -0.459 . . . . 10.0 109.875 -179.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -85.35 135.29 33.95 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.875 0.369 . . . . 10.0 110.301 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -69.23 154.9 41.29 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.856 -0.611 . . . . 10.0 111.746 -179.303 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -63.33 -33.76 76.22 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.432 -0.803 . . . . 10.0 111.411 -179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -75.16 -23.24 57.75 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.069 0.462 . . . . 10.0 111.119 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.81 -25.34 16.77 Favored Glycine 0 N--CA 1.447 -0.586 0 C-N-CA 120.967 -0.635 . . . . 10.0 112.229 -179.623 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.988 0 CA-C-O 118.712 -1.049 . . . . 10.0 111.715 179.923 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 . . . . . 0 N--CA 1.478 0.953 0 CA-C-O 121.21 0.529 . . . . 10.0 110.664 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 36.9 p-10 -110.02 27.06 9.97 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.369 0.604 . . . . 10.0 109.713 179.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . . . . . . . . . 30.1 ttm180 -144.14 125.01 14.26 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.098 -0.956 . . . . 10.0 110.729 -178.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . 0.415 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 6.1 p-10 -139.13 141.4 29.57 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 116.589 -0.278 . . . . 10.0 110.265 178.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.7 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 9.5 Cg_endo -88.94 133.77 2.53 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 123.081 2.521 . . . . 10.0 113.12 -179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 3.5 mt -118.43 126.3 74.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.089 -0.505 . . . . 10.0 110.676 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 6.8 t -124.33 126.12 71.53 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 N-CA-C 110.122 -0.325 . . . . 10.0 110.122 179.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 6.2 pt -122.0 -171.75 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.65 0.262 . . . . 10.0 110.826 179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -156.37 145.38 20.37 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.417 -0.356 . . . . 10.0 110.342 179.448 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 41.3 t0 -126.65 153.23 45.66 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.908 -0.405 . . . . 10.0 109.908 179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 3.5 m -129.1 107.65 17.94 Favored Pre-proline 0 C--N 1.321 -0.673 0 CA-C-N 116.304 -0.407 . . . . 10.0 110.074 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo . . . . . 0 C--O 1.25 1.1 0 C-N-CA 122.236 1.957 . . . . 10.0 111.905 179.844 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 64.0 m-85 . . . . . 0 N--CA 1.479 1.019 0 N-CA-C 110.387 -0.227 . . . . 10.0 110.387 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 46.5 mm -105.65 127.67 60.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 N-CA-C 109.228 -0.656 . . . . 10.0 109.228 179.193 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.6 mtpm? -99.39 110.0 22.54 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.093 0.473 . . . . 10.0 111.974 -178.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.2 mt -101.19 133.7 45.34 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 108.964 -0.754 . . . . 10.0 108.964 178.308 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.2 mtpt -100.33 113.27 25.85 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 121.156 0.503 . . . . 10.0 111.44 -178.692 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.431 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.9 t -96.64 118.52 43.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.627 -0.715 . . . . 10.0 109.66 179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 48.3 mm -88.43 106.81 16.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-O 120.89 0.376 . . . . 10.0 110.238 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -73.22 178.37 41.24 Favored Glycine 0 N--CA 1.449 -0.446 0 CA-C-N 115.846 -0.616 . . . . 10.0 112.547 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 21.7 tp60 -65.01 -28.88 69.8 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.807 0.337 . . . . 10.0 111.33 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -90.66 11.1 23.16 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.459 -0.337 . . . . 10.0 110.7 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.8 m 62.8 54.68 2.23 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-N 115.937 -0.574 . . . . 10.0 111.543 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.464 ' HA ' ' ND2' ' B' ' 358' ' ' ASN . 0.4 OUTLIER -98.28 160.3 14.38 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.837 -0.62 . . . . 10.0 111.073 179.493 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.573 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 17.0 mt-10 -104.08 73.15 1.12 Allowed 'General case' 0 N--CA 1.453 -0.286 0 CA-C-O 120.957 0.408 . . . . 10.0 109.929 179.568 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.431 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 36.4 mm -74.9 108.88 6.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-N 116.298 -0.41 . . . . 10.0 110.053 -179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.623 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.7 OUTLIER -91.62 98.03 11.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.138 -0.483 . . . . 10.0 111.073 -179.287 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.436 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.4 OUTLIER -86.46 113.52 22.47 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.776 -0.453 . . . . 10.0 109.776 179.481 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -85.45 92.27 8.45 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 109.391 -0.596 . . . . 10.0 109.391 -179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.4 m -96.07 164.61 2.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.309 0.576 . . . . 10.0 111.809 -178.436 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -108.1 128.16 54.44 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.335 -0.848 . . . . 10.0 109.161 179.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.496 ' O ' ' HB ' ' A' ' 41' ' ' THR . 57.7 tpp -75.69 84.37 2.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.237 0.541 . . . . 10.0 111.307 -179.108 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.496 ' HB ' ' O ' ' A' ' 40' ' ' MET . 14.9 t 169.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.068 -0.969 . . . . 10.0 109.806 179.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.4 m -84.21 144.39 28.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.943 -0.571 . . . . 10.0 110.547 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -68.03 146.72 53.25 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.315 -0.402 . . . . 10.0 110.662 179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 34.7 mt -62.25 -17.34 58.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.255 -0.43 . . . . 10.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 48.8 tptt -51.91 -51.0 59.97 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 10.0 110.785 178.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 30.3 tptt -65.42 -36.56 84.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.868 -0.606 . . . . 10.0 111.292 -179.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.436 HD12 ' CE1' ' A' ' 36' ' ' PHE . 2.6 mm? -68.85 -39.13 80.09 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.949 0.404 . . . . 10.0 110.665 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 51.5 mtpt -66.07 -46.21 78.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.075 -0.511 . . . . 10.0 111.691 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.491 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 11.7 pt-20 -66.94 -37.51 84.43 Favored 'General case' 0 C--O 1.233 0.185 0 C-N-CA 121.238 -0.185 . . . . 10.0 110.872 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 48.4 m -64.21 -37.33 87.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.893 0.378 . . . . 10.0 110.599 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 85.0 t80 -63.62 -42.9 98.14 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.974 0.416 . . . . 10.0 110.076 179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.4 m -61.97 -42.72 99.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.687 -0.688 . . . . 10.0 110.69 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.491 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 93.2 mt-30 -61.79 -40.28 94.66 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.251 -0.431 . . . . 10.0 110.767 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.8 ttt85 -64.97 -39.26 93.22 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.129 -0.487 . . . . 10.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.6 mm100 -77.46 -15.13 59.49 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.136 -0.484 . . . . 10.0 111.148 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.89 30.43 38.86 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 121.273 -0.489 . . . . 10.0 112.642 179.287 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.3 m -131.29 155.43 81.51 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 110.385 -0.228 . . . . 10.0 110.385 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 8.9 Cg_exo -71.99 163.81 37.63 Favored 'Trans proline' 0 C--O 1.235 0.357 0 C-N-CA 122.396 2.064 . . . . 10.0 111.513 179.11 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 9.2 ttt -72.71 157.79 36.85 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.041 -0.355 . . . . 10.0 110.041 179.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 79.31 -15.34 0.77 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 123.546 0.738 . . . . 10.0 111.562 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.5 m -70.2 -32.03 69.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.42 0.628 . . . . 10.0 110.066 178.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 91.9 mt -110.24 146.26 35.91 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.964 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.9 ptt180 -116.03 126.75 54.21 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.149 -0.478 . . . . 10.0 110.315 179.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -90.67 121.9 32.98 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.778 -0.646 . . . . 10.0 109.915 179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 86.8 mt -109.42 127.78 54.64 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-O 121.112 0.482 . . . . 10.0 110.827 -179.181 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 36.4 t80 -135.23 113.97 11.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.557 -0.747 . . . . 10.0 109.771 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 63.79 14.11 8.0 Favored 'General case' 0 N--CA 1.467 0.418 0 O-C-N 123.453 0.471 . . . . 10.0 111.898 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 105.95 -16.34 43.14 Favored Glycine 0 N--CA 1.448 -0.516 0 C-N-CA 120.664 -0.779 . . . . 10.0 112.228 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 85.2 mt-30 -97.44 159.21 15.06 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 109.563 -0.532 . . . . 10.0 109.563 179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -98.32 133.41 42.76 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-O 120.9 0.381 . . . . 10.0 109.991 179.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 45.6 mm -69.38 118.48 13.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 115.897 -0.592 . . . . 10.0 111.398 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -69.87 173.21 6.59 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.884 -0.598 . . . . 10.0 110.533 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 0.3 OUTLIER -81.62 -27.49 34.16 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.21 0.529 . . . . 10.0 110.358 179.642 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.9 p-10 -99.08 22.57 10.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.574 -0.739 . . . . 10.0 109.657 178.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -76.22 140.71 41.77 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.525 -0.761 . . . . 10.0 110.934 -179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.577 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -115.71 140.96 26.72 Favored Pre-proline 0 C--N 1.32 -0.682 0 CA-C-N 116.093 -0.503 . . . . 10.0 110.208 179.72 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -68.3 -5.76 15.75 Favored 'Trans proline' 0 C--N 1.348 0.524 0 C-N-CA 122.455 2.103 . . . . 10.0 112.792 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -89.77 -15.24 32.84 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.937 0.398 . . . . 10.0 110.67 -179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.577 ' HG2' ' O ' ' A' ' 76' ' ' THR . 9.3 pt-20 -99.47 165.18 11.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.449 -0.341 . . . . 10.0 110.301 -179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 70.91 -66.76 0.28 Allowed 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 123.409 0.684 . . . . 10.0 110.64 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 145.57 76.79 0.03 OUTLIER Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.79 -0.719 . . . . 10.0 112.462 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 44.5 mtt -111.28 121.6 45.67 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.853 -0.425 . . . . 10.0 109.853 179.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -128.37 -173.47 2.96 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.125 0.488 . . . . 10.0 111.123 -179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -69.78 137.91 52.29 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.427 -0.806 . . . . 10.0 110.271 179.519 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 65.22 23.12 12.23 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-N 115.804 -0.634 . . . . 10.0 111.881 179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.79 154.62 39.47 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.473 -0.566 . . . . 10.0 109.473 179.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 57.6 t -105.96 126.43 61.41 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 112.592 0.59 . . . . 10.0 112.592 -177.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.4 tt -131.34 143.3 41.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 115.4 -0.818 . . . . 10.0 109.086 178.279 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -112.15 157.01 21.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.775 0.322 . . . . 10.0 111.293 -178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.32 129.88 17.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.101 -0.5 . . . . 10.0 110.295 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 91.6 m-85 -137.36 170.75 15.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.435 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -86.67 139.77 30.45 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.6 -0.273 . . . . 10.0 110.557 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 -73.7 168.45 19.34 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.359 -0.382 . . . . 10.0 110.015 178.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -64.29 -36.16 83.19 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.961 0.41 . . . . 10.0 111.488 -179.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 16.7 p -75.56 -27.68 58.72 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.018 0.437 . . . . 10.0 111.184 -179.564 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.27 7.32 88.53 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.928 -0.653 . . . . 10.0 111.575 -179.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.809 0 N-CA-C 110.793 -0.923 . . . . 10.0 110.793 -179.555 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 20.1 p-10 . . . . . 0 N--CA 1.479 0.983 0 CA-C-O 120.906 0.384 . . . . 10.0 110.1 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 32' ' ' SER . 7.6 p30 -147.36 45.94 1.14 Allowed 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.087 -0.506 . . . . 10.0 110.774 -179.513 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.573 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 97.3 mtt180 -97.92 119.18 36.09 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.75 -0.659 . . . . 10.0 110.444 179.668 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -130.09 104.48 16.69 Favored Pre-proline 0 C--N 1.322 -0.628 0 C-N-CA 120.934 -0.306 . . . . 10.0 111.328 -179.525 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.623 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 13.7 Cg_exo -70.82 109.85 2.62 Favored 'Trans proline' 0 C--O 1.234 0.306 0 C-N-CA 122.838 2.359 . . . . 10.0 112.314 179.469 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 27.3 mt -94.87 126.26 47.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 116.118 -0.492 . . . . 10.0 111.141 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.9 t -125.22 128.13 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.106 -0.497 . . . . 10.0 110.268 179.575 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -126.34 172.94 12.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.453 -0.34 . . . . 10.0 110.141 179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.0 p -149.06 116.33 6.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.888 0.375 . . . . 10.0 111.01 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 39.2 t0 -80.76 167.04 20.42 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.203 -0.453 . . . . 10.0 110.127 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 7.4 m -139.86 100.75 7.26 Favored Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 116.451 -0.34 . . . . 10.0 110.251 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 11.8 Cg_exo . . . . . 0 C--O 1.248 1.014 0 C-N-CA 122.853 2.369 . . . . 10.0 112.156 179.852 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 110.164 -0.31 . . . . 10.0 110.164 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.3 mm -98.67 136.45 29.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.509 -0.314 . . . . 10.0 110.546 -179.34 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -105.99 117.93 35.3 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.018 0.437 . . . . 10.0 111.078 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 89.8 mt -100.22 125.12 46.35 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.385 -0.598 . . . . 10.0 109.385 178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.589 ' HA ' ' O ' ' A' ' 34' ' ' ILE . 17.4 mtpt -87.97 107.1 18.55 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.179 0.514 . . . . 10.0 110.857 -178.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.5 t -88.28 121.48 38.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.533 -0.758 . . . . 10.0 109.784 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 37.5 mm -94.33 110.09 23.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 116.245 -0.434 . . . . 10.0 110.915 -179.394 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -84.32 162.63 38.49 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.715 -0.755 . . . . 10.0 111.416 178.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 14.9 tp60 -70.64 -9.9 58.09 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.014 0.435 . . . . 10.0 110.865 -179.493 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -92.72 8.34 39.71 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.148 -0.478 . . . . 10.0 109.926 179.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.1 m 69.18 61.38 0.31 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 123.853 0.721 . . . . 10.0 110.658 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.8 p -118.13 164.78 14.63 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.497 -0.774 . . . . 10.0 110.52 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.572 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 24.3 mt-10 -132.65 74.94 1.6 Allowed 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.366 -0.605 . . . . 10.0 109.366 179.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.589 ' O ' ' HA ' ' A' ' 25' ' ' LYS . 27.1 mm -67.42 133.34 31.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.944 -0.571 . . . . 10.0 110.872 -179.116 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.722 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 0.2 OUTLIER -106.28 80.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.217 -0.447 . . . . 10.0 110.262 -179.545 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.431 ' CE1' HD12 ' A' ' 47' ' ' LEU . 0.7 OUTLIER -79.33 120.15 23.38 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.79 0.329 . . . . 10.0 110.466 -179.616 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt -93.26 105.11 17.23 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.421 -0.585 . . . . 10.0 109.421 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.7 m -101.51 159.94 3.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.341 0.591 . . . . 10.0 112.407 -178.103 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 86.2 tttt -96.3 129.11 43.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.333 -0.849 . . . . 10.0 109.145 178.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.511 ' O ' ' HB ' ' A' ' 41' ' ' THR . 50.9 tpp -77.91 74.23 4.47 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 112.258 0.466 . . . . 10.0 112.258 -178.199 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.511 ' HB ' ' O ' ' A' ' 40' ' ' MET . 5.1 t 170.85 -31.14 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.569 -0.741 . . . . 10.0 109.773 178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 8.6 m -77.6 138.74 39.3 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 116.134 -0.485 . . . . 10.0 110.28 179.565 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 1.9 m80 -65.78 145.12 56.37 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.786 -0.45 . . . . 10.0 109.786 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD13 HG21 ' A' ' 71' ' ' ILE . 70.3 mt -63.73 -8.62 10.95 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.339 -0.391 . . . . 10.0 112.036 -178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 49.9 tptt -58.5 -44.23 89.37 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.946 -0.39 . . . . 10.0 109.946 178.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 18.4 tptp -73.52 -22.7 60.04 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.943 -0.571 . . . . 10.0 111.078 -179.218 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.431 HD12 ' CE1' ' A' ' 36' ' ' PHE . 3.3 mm? -82.46 -43.76 16.84 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.888 0.375 . . . . 10.0 110.577 -179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.7 mtpt -61.41 -43.37 98.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 10.0 111.571 -179.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.7 pt-20 -65.59 -39.8 92.0 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 121.035 -0.266 . . . . 10.0 110.707 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 64.6 m -62.73 -37.59 87.15 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.321 -0.4 . . . . 10.0 111.034 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.282 -0.417 . . . . 10.0 110.105 179.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.5 m -62.31 -43.2 99.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.939 -0.573 . . . . 10.0 110.31 179.721 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 90.2 mt-30 -62.78 -40.71 98.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.901 -0.59 . . . . 10.0 111.187 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.96 -35.63 81.78 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.977 0.417 . . . . 10.0 110.781 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -79.35 -10.47 59.82 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.257 -0.429 . . . . 10.0 110.917 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.82 33.66 29.62 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 121.031 -0.604 . . . . 10.0 112.737 179.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.9 m -134.32 157.96 76.3 Favored Pre-proline 0 C--N 1.323 -0.574 0 O-C-N 122.718 -0.283 . . . . 10.0 110.63 179.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -71.86 166.73 28.66 Favored 'Trans proline' 0 N--CA 1.464 -0.249 0 C-N-CA 122.319 2.013 . . . . 10.0 110.774 178.536 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.446 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 10.8 ttt -76.37 157.97 31.87 Favored 'General case' 0 C--N 1.321 -0.668 0 C-N-CA 120.655 -0.418 . . . . 10.0 110.542 -179.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.446 ' HB2' ' O ' ' A' ' 59' ' ' MET . 8.4 m120 74.37 11.51 4.1 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.593 -0.731 . . . . 10.0 111.653 179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 24.8 p -89.53 -38.05 14.28 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.109 -0.701 . . . . 10.0 109.109 178.59 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 38.4 mt -110.88 134.62 52.39 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.876 -1.056 . . . . 10.0 110.208 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 12.9 ptt-85 -101.71 132.92 47.15 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.026 -0.534 . . . . 10.0 110.325 179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.402 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 51.8 m-85 -91.85 112.74 24.79 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.967 -0.561 . . . . 10.0 109.772 179.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 79.5 mt -101.74 114.25 28.15 Favored 'General case' 0 C--N 1.32 -0.715 0 CA-C-O 121.201 0.524 . . . . 10.0 111.017 -179.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -115.33 99.79 7.65 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.584 -0.735 . . . . 10.0 109.214 179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 65.54 29.33 11.15 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.042 -0.527 . . . . 10.0 110.874 -179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 97.26 -27.55 17.99 Favored Glycine 0 N--CA 1.449 -0.452 0 CA-C-N 115.793 -0.639 . . . . 10.0 112.274 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -85.72 128.32 34.76 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.639 0.257 . . . . 10.0 110.807 -179.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.402 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 8.7 ptm180 -81.07 121.59 26.27 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.164 0.507 . . . . 10.0 109.967 178.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.447 HG21 HD13 ' A' ' 44' ' ' LEU . 42.2 mm -65.05 127.98 26.93 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.61 0 CA-C-N 115.486 -0.779 . . . . 10.0 111.584 -178.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -84.66 170.95 12.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.805 -0.634 . . . . 10.0 110.39 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -72.02 -35.46 69.41 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.127 -0.488 . . . . 10.0 111.158 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 3.9 p-10 -88.67 29.38 1.01 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.941 -0.572 . . . . 10.0 111.467 -179.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -103.11 150.48 23.58 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.847 0.356 . . . . 10.0 110.63 179.574 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.468 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -126.09 150.25 68.93 Favored Pre-proline 0 C--N 1.323 -0.551 0 CA-C-N 116.039 -0.528 . . . . 10.0 110.142 179.338 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 16.8 Cg_exo -66.77 -4.31 10.93 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.643 2.229 . . . . 10.0 112.793 -179.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.2 tppt? -80.62 -22.83 40.25 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.297 -0.41 . . . . 10.0 110.681 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.468 ' HG2' ' O ' ' A' ' 76' ' ' THR . 6.8 pt-20 -107.34 -178.53 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.267 -179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.4 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.2 mt 73.18 -42.22 0.52 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.492 0.717 . . . . 10.0 111.546 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 116.93 34.97 1.18 Allowed Glycine 0 N--CA 1.444 -0.774 0 C-N-CA 121.247 -0.502 . . . . 10.0 112.012 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 61.8 mtt -75.67 127.81 33.86 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.719 0.295 . . . . 10.0 110.538 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 3.0 mm-40 -124.24 178.69 5.22 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.087 0.47 . . . . 10.0 111.31 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -69.93 136.42 50.55 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.676 -0.693 . . . . 10.0 110.257 179.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.4 mm-40 65.88 31.77 9.11 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.025 0.44 . . . . 10.0 111.234 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.429 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.8 t0 -76.51 168.93 19.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.938 -0.574 . . . . 10.0 110.209 179.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 60.7 t -117.38 125.86 74.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-O 120.937 0.399 . . . . 10.0 111.262 -178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 tt -133.33 141.63 44.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 N-CA-C 109.604 -0.517 . . . . 10.0 109.604 179.037 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -101.8 155.41 18.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.93 0.395 . . . . 10.0 111.482 -178.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -137.85 125.23 29.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.952 -0.567 . . . . 10.0 110.333 179.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 36.6 m-85 -134.65 163.19 30.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 10.0 110.425 -179.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.3 tt0 -85.73 138.67 31.94 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.699 -0.4 . . . . 10.0 110.365 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.465 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.5 mm-40 -77.15 159.64 29.6 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.11 -0.496 . . . . 10.0 110.577 179.668 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -67.0 -24.06 65.99 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-O 121.179 0.514 . . . . 10.0 110.632 179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -20.57 62.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.868 -0.606 . . . . 10.0 110.875 179.557 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 87.72 -49.63 3.88 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 121.233 -0.508 . . . . 10.0 112.607 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.97 0 CA-C-O 118.634 -1.092 . . . . 10.0 111.587 -179.836 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 22.8 p-10 . . . . . 0 N--CA 1.48 1.072 0 CA-C-O 120.668 0.27 . . . . 10.0 110.437 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 47.3 p-10 -119.11 11.6 12.44 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.808 0.337 . . . . 10.0 110.892 179.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.572 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 2.8 mpt_? -106.41 147.64 29.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.058 -0.519 . . . . 10.0 110.795 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -147.29 105.6 3.81 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 116.008 -0.542 . . . . 10.0 110.087 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.722 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 57.2 Cg_endo -73.02 123.77 9.12 Favored 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.701 2.267 . . . . 10.0 112.809 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 22.3 mt -114.93 126.69 72.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.155 -0.475 . . . . 10.0 110.797 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 18.0 t -125.15 132.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.879 -0.415 . . . . 10.0 109.879 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 11.6 pt -115.78 171.42 4.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 110.426 -0.213 . . . . 10.0 110.426 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 3.1 m -100.73 117.34 34.63 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.024 0.44 . . . . 10.0 110.85 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -73.05 141.89 47.63 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.934 -0.575 . . . . 10.0 110.413 179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -154.24 99.36 2.51 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 116.37 -0.377 . . . . 10.0 111.304 -179.397 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo . . . . . 0 C--O 1.251 1.156 0 C-N-CA 123.067 2.511 . . . . 10.0 111.954 179.362 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.8 m-85 . . . . . 0 N--CA 1.481 1.095 0 N-CA-C 110.17 -0.307 . . . . 10.0 110.17 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 26.7 mm -85.52 117.61 30.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 110.067 -0.346 . . . . 10.0 110.067 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.8 ttpm? -101.7 114.32 28.26 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-O 121.108 0.48 . . . . 10.0 110.698 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 23.3 mt -101.11 134.81 43.58 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.826 -179.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -90.19 106.23 18.34 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.688 -0.486 . . . . 10.0 109.688 178.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.601 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.7 t -90.97 115.48 30.23 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 CA-C-N 115.825 -0.625 . . . . 10.0 110.269 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.3 mm -89.52 118.7 35.32 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 115.98 -0.555 . . . . 10.0 110.61 -179.767 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -88.14 169.31 38.0 Favored Glycine 0 N--CA 1.445 -0.713 0 C-N-CA 120.802 -0.713 . . . . 10.0 112.147 179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 29.8 tp60 -64.73 -25.36 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.815 0.34 . . . . 10.0 110.662 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -89.45 17.03 6.65 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.08 -0.509 . . . . 10.0 111.262 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.5 m 67.43 32.37 5.83 Favored 'General case' 0 N--CA 1.468 0.449 0 O-C-N 123.424 0.453 . . . . 10.0 111.407 179.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.2 p -84.76 152.53 23.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.343 -0.39 . . . . 10.0 111.163 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.757 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 18.3 tt0 -115.61 72.74 0.81 Allowed 'General case' 0 CA--C 1.531 0.216 0 CA-C-O 121.069 0.461 . . . . 10.0 109.868 179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.512 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 51.7 mm -72.34 133.42 31.81 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.854 0.359 . . . . 10.0 111.023 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.51 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 29.6 m170 -103.79 92.25 4.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.929 0.395 . . . . 10.0 110.666 -179.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -86.73 113.44 22.58 Favored 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 110.104 -0.332 . . . . 10.0 110.104 -179.665 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 33.2 ttmt -93.55 111.8 23.55 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.898 0.38 . . . . 10.0 110.512 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 3.1 m -115.36 171.76 4.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.758 -0.655 . . . . 10.0 110.819 -179.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -117.19 137.71 52.16 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.754 -0.461 . . . . 10.0 109.754 179.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.455 ' O ' ' HB ' ' A' ' 41' ' ' THR . 63.4 tpp -73.3 79.17 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.165 -0.47 . . . . 10.0 111.472 -179.297 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.5 OUTLIER 173.38 -33.98 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.571 179.206 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -79.98 136.41 36.61 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.39 -0.368 . . . . 10.0 111.117 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.43 143.02 57.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.476 . . . . 10.0 110.042 179.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.8 mt -66.27 -9.56 33.76 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.535 -0.302 . . . . 10.0 111.497 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 39.0 tptt -56.65 -52.25 65.63 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.381 -0.372 . . . . 10.0 110.113 178.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.1 tptp -67.7 -30.58 70.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.744 -0.662 . . . . 10.0 111.03 -179.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.439 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.8 mm? -68.76 -45.57 71.05 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.601 -0.272 . . . . 10.0 111.108 -179.625 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -62.1 -47.46 84.52 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.214 -0.448 . . . . 10.0 111.928 -179.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 8.1 pt-20 -64.96 -42.35 94.68 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.047 0.388 . . . . 10.0 112.047 -179.114 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -65.61 -31.75 72.95 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.613 0.244 . . . . 10.0 110.98 -179.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -69.68 -38.54 77.08 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.886 0.374 . . . . 10.0 110.016 179.302 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 62.7 m -60.27 -41.29 92.96 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.016 -0.538 . . . . 10.0 109.954 179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.58 -37.01 86.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.857 -0.61 . . . . 10.0 110.531 179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.406 ' HG2' HD13 ' B' ' 362' ' ' ILE . 13.6 tpt180 -64.64 -34.11 77.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.911 -0.586 . . . . 10.0 110.922 179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 12.1 mm100 -87.96 -4.97 58.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.396 -0.365 . . . . 10.0 110.948 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.12 35.08 61.05 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 121.209 -0.52 . . . . 10.0 112.954 179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 12.0 m -131.66 158.29 75.79 Favored Pre-proline 0 C--N 1.327 -0.389 0 O-C-N 122.853 -0.204 . . . . 10.0 110.499 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -71.21 167.46 26.14 Favored 'Trans proline' 0 C--N 1.344 0.322 0 C-N-CA 122.184 1.922 . . . . 10.0 110.998 178.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.507 ' O ' ' HB2' ' A' ' 60' ' ' ASN . 20.5 ttt -75.29 154.24 37.52 Favored 'General case' 0 C--N 1.32 -0.703 0 C-N-CA 120.679 -0.409 . . . . 10.0 110.115 179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.507 ' HB2' ' O ' ' A' ' 59' ' ' MET . 12.6 m120 76.85 4.36 3.4 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.364 0.666 . . . . 10.0 111.716 179.612 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 59.3 p -82.86 -41.52 18.89 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.357 0.599 . . . . 10.0 109.566 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 45.5 mt -109.61 141.75 41.71 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.3 -0.864 . . . . 10.0 110.429 179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.529 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 13.0 ptt180 -113.8 133.05 55.63 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.036 179.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' HB3' HD11 ' A' ' 88' ' ' ILE . 95.9 m-85 -91.77 121.09 33.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.972 -0.558 . . . . 10.0 109.962 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 88.0 mt -106.09 118.62 37.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.166 0.507 . . . . 10.0 110.447 -179.731 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 82.1 t80 -126.44 119.58 27.58 Favored 'General case' 0 C--N 1.317 -0.808 0 N-CA-C 108.651 -0.87 . . . . 10.0 108.651 179.381 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 64.65 20.31 12.1 Favored 'General case' 0 C--N 1.331 -0.204 0 O-C-N 123.582 0.552 . . . . 10.0 110.699 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 93.61 -14.83 64.4 Favored Glycine 0 N--CA 1.447 -0.584 0 C-N-CA 120.995 -0.621 . . . . 10.0 112.494 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -96.52 155.69 16.66 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.746 0.308 . . . . 10.0 110.474 -179.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -91.53 124.76 35.94 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.026 0.441 . . . . 10.0 109.912 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 36.9 mm -64.11 120.01 9.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.851 -0.613 . . . . 10.0 110.748 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -80.92 166.68 20.65 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.845 -0.616 . . . . 10.0 110.261 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -75.8 -13.95 60.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.306 -0.406 . . . . 10.0 110.985 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.9 p-10 -104.53 11.78 33.94 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.183 -0.462 . . . . 10.0 110.884 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 20.0 m170 -84.85 150.63 24.87 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.163 0.506 . . . . 10.0 111.267 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.465 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 7.3 p -126.85 154.73 76.1 Favored Pre-proline 0 C--N 1.32 -0.677 0 CA-C-N 115.782 -0.645 . . . . 10.0 109.878 179.07 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 22.6 Cg_exo -65.47 -15.75 51.03 Favored 'Trans proline' 0 C--N 1.344 0.296 0 C-N-CA 122.269 1.979 . . . . 10.0 111.645 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.6 tppt? -71.39 -37.56 71.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.518 -0.765 . . . . 10.0 110.611 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.465 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.7 pt-20 -91.03 174.36 7.45 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.676 -0.49 . . . . 10.0 109.676 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.411 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 5.4 mt 73.11 -47.79 0.67 Allowed 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 123.144 0.578 . . . . 10.0 110.912 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.76 55.81 0.45 Allowed Glycine 0 N--CA 1.445 -0.711 0 CA-C-N 116.032 -0.531 . . . . 10.0 112.505 179.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 48.0 mtt -85.25 128.56 34.73 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.116 -0.327 . . . . 10.0 110.116 179.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.1 mm-40 -127.48 -176.3 3.71 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.103 -0.499 . . . . 10.0 111.294 -179.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -75.7 146.69 39.96 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.109 -0.496 . . . . 10.0 109.808 179.168 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 24.8 mm-40 64.19 24.47 13.41 Favored 'General case' 0 C--O 1.234 0.258 0 O-C-N 123.568 0.543 . . . . 10.0 110.527 -179.421 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.489 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.2 t0 -75.72 168.01 20.82 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.069 -0.514 . . . . 10.0 110.521 -179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.5 t -124.84 128.71 73.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-O 121.115 0.483 . . . . 10.0 111.134 -178.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.601 ' O ' ' HA ' ' A' ' 26' ' ' VAL . 15.7 tt -133.66 129.94 55.86 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 N-CA-C 108.961 -0.755 . . . . 10.0 108.961 178.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 35.8 mt-10 -95.91 150.05 20.87 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.916 0.389 . . . . 10.0 111.37 -178.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.6 p -131.64 126.31 57.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.168 -0.469 . . . . 10.0 110.207 179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 99.7 m-85 -135.57 162.94 31.28 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.345 -0.389 . . . . 10.0 110.168 -179.665 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 10.7 tt0 -81.09 140.32 35.15 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.005 0.431 . . . . 10.0 111.039 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.529 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.1 mm-40 -77.18 155.23 32.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.028 -0.533 . . . . 10.0 110.237 179.244 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -60.4 -32.78 71.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.882 -0.599 . . . . 10.0 111.81 -179.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.77 -25.35 61.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.829 0.347 . . . . 10.0 111.627 -179.616 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 92.09 -26.49 12.96 Favored Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.707 -0.758 . . . . 10.0 112.599 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.977 0 CA-C-O 118.688 -1.062 . . . . 10.0 111.985 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 18.6 p-10 . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 121.009 0.433 . . . . 10.0 110.301 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 13.2 p30 -103.02 18.01 22.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.054 -0.521 . . . . 10.0 110.884 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.757 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 3.3 ptp180 -95.37 121.52 37.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.406 -0.815 . . . . 10.0 110.865 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -120.51 114.32 33.07 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-N 115.603 -0.726 . . . . 10.0 109.988 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.51 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 74.1 Cg_endo -79.66 121.83 4.77 Favored 'Trans proline' 0 N--CA 1.46 -0.452 0 C-N-CA 122.686 2.257 . . . . 10.0 112.891 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . 0.406 HD13 ' HG2' ' A' ' 54' ' ' ARG . 21.4 mt -115.64 121.36 67.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.806 -0.633 . . . . 10.0 110.727 179.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 13.7 t -117.98 127.51 75.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 N-CA-C 109.6 -0.518 . . . . 10.0 109.6 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.4 pt -104.89 163.97 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-O 120.803 0.335 . . . . 10.0 110.848 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.0 m -93.18 121.38 34.47 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.961 -0.563 . . . . 10.0 110.492 179.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -84.51 131.01 34.69 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.242 -0.435 . . . . 10.0 110.718 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 10.6 m -137.35 127.55 15.72 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.53 -0.305 . . . . 10.0 110.371 -179.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo . . . . . 0 C--O 1.252 1.203 0 C-N-CA 122.578 2.185 . . . . 10.0 112.164 179.775 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 . . . . . 0 N--CA 1.481 1.104 0 N-CA-C 110.191 -0.3 . . . . 10.0 110.191 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 29.5 mm -81.56 128.79 38.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 N-CA-C 109.937 -0.394 . . . . 10.0 109.937 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.518 ' HD2' ' CG ' ' A' ' 35' ' ' HIS . 4.6 ttpm? -108.07 122.95 47.93 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-O 121.057 0.456 . . . . 10.0 111.01 -179.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 77.3 mt -103.92 143.0 33.44 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.928 -0.578 . . . . 10.0 109.773 179.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.7 mtpp -102.5 109.99 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.828 0.347 . . . . 10.0 110.6 -179.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.1 t -91.46 125.36 44.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 N-CA-C 109.408 -0.59 . . . . 10.0 109.408 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 33.4 mm -87.67 112.3 23.25 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.089 -0.505 . . . . 10.0 111.219 -179.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -86.33 152.03 25.06 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.794 -0.717 . . . . 10.0 111.622 179.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 19.2 tp60 -63.95 -31.49 72.7 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.992 0.425 . . . . 10.0 111.024 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -78.79 7.71 6.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.066 -0.516 . . . . 10.0 110.646 179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.6 m 68.64 68.67 0.3 Allowed 'General case' 0 CA--C 1.527 0.073 0 CA-C-N 115.482 -0.781 . . . . 10.0 111.516 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -133.27 152.85 51.94 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.723 -0.671 . . . . 10.0 109.852 179.047 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.576 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 60.4 tt0 -107.32 93.67 4.67 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.027 0.442 . . . . 10.0 109.809 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.473 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 17.5 mm -79.02 117.17 24.16 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 N-CA-C 109.884 -0.413 . . . . 10.0 109.884 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.596 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 20.7 m170 -95.15 80.4 3.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.903 0.382 . . . . 10.0 110.946 -179.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -81.74 114.86 20.68 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.914 -0.402 . . . . 10.0 109.914 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 29.8 ttmt -88.25 110.76 20.98 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.009 -0.541 . . . . 10.0 109.995 179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 15.3 m -101.91 165.89 2.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.189 0.518 . . . . 10.0 111.347 -179.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.411 ' HG2' HG22 ' A' ' 41' ' ' THR . 82.8 tttt -113.45 122.18 46.53 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.769 -0.651 . . . . 10.0 110.191 -179.525 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.557 ' O ' ' HB ' ' A' ' 41' ' ' THR . 62.2 tpp -72.56 81.81 1.1 Allowed 'General case' 0 C--O 1.234 0.25 0 CA-C-O 120.978 0.418 . . . . 10.0 110.977 -179.701 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.557 ' HB ' ' O ' ' A' ' 40' ' ' MET . 7.1 t 168.06 -28.08 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.365 -0.834 . . . . 10.0 109.458 179.46 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -91.11 138.76 31.35 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 115.736 -0.665 . . . . 10.0 110.214 179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -65.58 149.12 50.6 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 116.347 -0.388 . . . . 10.0 110.523 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 67.9 mt -66.65 -8.25 26.25 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.183 -0.462 . . . . 10.0 111.331 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.459 ' O ' ' HG2' ' A' ' 49' ' ' GLU . 34.7 tptt -54.28 -51.61 64.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.101 -0.499 . . . . 10.0 110.417 178.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 32.9 tptt -69.58 -32.42 71.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.83 -0.623 . . . . 10.0 111.041 -179.077 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.405 HD13 ' HA ' ' A' ' 47' ' ' LEU . 3.7 mm? -67.63 -42.61 82.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.372 -0.376 . . . . 10.0 110.811 -179.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -61.3 -46.77 88.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.064 -0.516 . . . . 10.0 111.562 -179.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HG2' ' O ' ' A' ' 45' ' ' LYS . 5.7 pt-20 -70.37 -35.87 73.8 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.954 -0.298 . . . . 10.0 111.26 -179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 71.2 m -63.27 -34.83 78.53 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.921 0.391 . . . . 10.0 110.491 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 39.0 t80 -66.76 -36.18 81.83 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 109.569 -0.53 . . . . 10.0 109.569 178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 53.2 m -65.18 -34.87 79.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.931 -0.577 . . . . 10.0 109.9 179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.403 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 84.4 mt-30 -69.32 -38.17 78.08 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.937 -0.574 . . . . 10.0 110.123 179.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -64.66 -39.02 92.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.829 -0.623 . . . . 10.0 110.709 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -80.22 -29.35 38.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.281 -0.418 . . . . 10.0 110.661 179.775 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 89.75 39.27 6.26 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 121.091 -0.576 . . . . 10.0 112.175 179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.7 m -135.51 158.92 73.38 Favored Pre-proline 0 C--N 1.325 -0.47 0 N-CA-C 110.567 -0.16 . . . . 10.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -67.32 164.57 30.05 Favored 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.381 2.054 . . . . 10.0 111.816 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 12.9 ttt -75.7 155.02 36.08 Favored 'General case' 0 C--N 1.323 -0.584 0 C-N-CA 121.138 -0.225 . . . . 10.0 110.557 -179.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.9 t30 75.36 3.85 4.04 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.402 0.681 . . . . 10.0 111.634 179.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 69.0 p -83.36 -28.21 29.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.248 0.547 . . . . 10.0 109.697 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 20.1 mt -121.28 141.48 50.86 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.59 -0.732 . . . . 10.0 110.369 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.479 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 25.8 ptt-85 -106.14 131.87 52.88 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.059 0.457 . . . . 10.0 109.886 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -93.29 116.38 28.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.861 -0.609 . . . . 10.0 109.366 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 17.1 mt -100.45 130.73 46.58 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-O 121.195 0.522 . . . . 10.0 111.481 -178.353 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.2 t80 -146.31 121.99 10.5 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 115.197 -0.91 . . . . 10.0 109.387 179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 63.5 24.34 14.03 Favored 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.54 0.525 . . . . 10.0 111.009 -179.547 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.9 -23.41 29.09 Favored Glycine 0 CA--C 1.519 0.281 0 C-N-CA 121.069 -0.586 . . . . 10.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -96.07 175.26 6.54 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.706 -0.479 . . . . 10.0 109.706 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -109.18 134.17 52.08 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.079 0.466 . . . . 10.0 110.49 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 39.0 mm -63.5 122.26 14.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.344 -0.843 . . . . 10.0 111.536 -179.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.83 163.18 21.34 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.686 -0.688 . . . . 10.0 110.163 179.509 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.412 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 1.0 OUTLIER -73.23 -18.08 61.28 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.043 0.449 . . . . 10.0 110.554 -179.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.4 p-10 -102.95 19.9 18.55 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.994 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -93.53 148.96 21.61 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.143 0.497 . . . . 10.0 111.235 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.583 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -125.89 147.26 58.27 Favored Pre-proline 0 C--N 1.321 -0.637 0 CA-C-N 115.696 -0.684 . . . . 10.0 109.806 179.411 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 25.9 Cg_exo -63.18 -9.6 17.89 Favored 'Trans proline' 0 C--N 1.348 0.534 0 C-N-CA 122.751 2.3 . . . . 10.0 112.792 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.9 tppt? -77.31 -23.74 50.96 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.16 -0.473 . . . . 10.0 110.711 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.583 ' HG2' ' O ' ' A' ' 76' ' ' THR . 7.7 pt-20 -104.35 177.42 4.85 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 110.073 -0.343 . . . . 10.0 110.073 -179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 17.0 mt 72.23 -52.13 0.7 Allowed 'General case' 0 N--CA 1.472 0.627 0 O-C-N 123.873 0.733 . . . . 10.0 111.612 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 122.74 65.43 0.22 Allowed Glycine 0 N--CA 1.446 -0.691 0 C-N-CA 121.023 -0.608 . . . . 10.0 111.748 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 45.5 mtt -98.23 127.35 44.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.042 0.448 . . . . 10.0 110.919 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 25.5 mm-40 -125.35 175.46 7.45 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.555 -0.748 . . . . 10.0 110.877 -179.665 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 12.7 tp10 -69.87 139.76 53.08 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.781 -0.645 . . . . 10.0 109.377 178.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 65.64 34.84 7.4 Favored 'General case' 0 C--O 1.236 0.372 0 O-C-N 123.46 0.475 . . . . 10.0 110.932 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.13 153.68 25.92 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 10.0 110.587 179.589 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 62.8 t -102.46 127.06 56.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.086 0.469 . . . . 10.0 111.599 -178.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.9 tt -132.42 140.55 47.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.792 -0.64 . . . . 10.0 109.396 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -109.93 155.98 21.03 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 120.964 0.411 . . . . 10.0 111.464 -178.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -140.37 123.7 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.083 -0.508 . . . . 10.0 110.254 179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 41.6 m-85 -131.0 159.99 35.89 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.232 -0.44 . . . . 10.0 110.183 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -78.69 138.15 38.14 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.125 0.488 . . . . 10.0 111.615 -179.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.479 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 6.6 mm-40 -78.06 154.12 31.67 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.734 -0.666 . . . . 10.0 109.618 178.689 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 32.2 tt0 -73.28 -14.62 61.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.051 0.453 . . . . 10.0 110.656 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.9 p -78.96 -32.84 45.55 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.06 0.457 . . . . 10.0 110.477 179.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 86.96 1.31 84.94 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.905 -0.664 . . . . 10.0 111.793 -179.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.871 -0.961 . . . . 10.0 111.324 -179.825 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 29.2 p-10 . . . . . 0 N--CA 1.482 1.133 0 N-CA-C 109.874 -0.417 . . . . 10.0 109.874 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -144.17 72.44 1.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.122 0.487 . . . . 10.0 111.065 -179.251 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.576 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 6.2 ptp180 -144.56 130.68 19.51 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.739 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . 0.481 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 8.9 p-10 -137.32 121.25 11.98 Favored Pre-proline 0 C--N 1.327 -0.376 0 CA-C-O 120.866 0.365 . . . . 10.0 111.162 179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.596 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 4.5 Cg_exo -77.24 114.01 3.68 Favored 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.88 2.387 . . . . 10.0 111.78 179.354 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 11.2 mt -99.58 119.69 47.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 116.444 -0.344 . . . . 10.0 111.142 -179.449 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 24.9 t -117.87 126.07 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 109.599 -0.519 . . . . 10.0 109.599 179.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 17.2 pt -107.5 179.77 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-O 120.798 0.333 . . . . 10.0 111.124 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -102.8 133.13 48.38 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.863 0.364 . . . . 10.0 110.932 -179.54 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -106.09 110.6 22.91 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.1 -0.5 . . . . 10.0 109.817 179.275 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 51.5 m -152.54 134.62 8.7 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.559 -0.291 . . . . 10.0 110.682 -179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 21.6 Cg_exo . . . . . 0 C--O 1.248 1.025 0 C-N-CA 122.664 2.243 . . . . 10.0 111.909 179.591 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 . . . . . 0 N--CA 1.483 1.219 0 N-CA-C 110.291 -0.263 . . . . 10.0 110.291 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.439 ' HB ' HG22 ' A' ' 38' ' ' VAL . 26.7 mm -122.86 111.47 30.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 N-CA-C 109.271 -0.64 . . . . 10.0 109.271 179.132 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.62 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 4.2 ttpm? -91.58 105.04 17.45 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.084 0.469 . . . . 10.0 110.986 -179.319 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 73.7 mt -93.23 128.76 39.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.869 -0.605 . . . . 10.0 110.083 179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -92.56 104.07 16.41 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-O 120.84 0.352 . . . . 10.0 110.35 -179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.467 ' HA ' ' O ' ' A' ' 88' ' ' ILE . 2.6 t -90.93 124.82 43.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.064 -0.517 . . . . 10.0 110.094 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 49.0 mm -84.88 116.52 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 116.254 -0.43 . . . . 10.0 110.872 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.407 ' HA3' ' OG ' ' A' ' 32' ' ' SER . . . -85.92 159.85 33.27 Favored Glycine 0 N--CA 1.448 -0.54 0 CA-C-N 115.799 -0.637 . . . . 10.0 112.127 179.533 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 24.9 tp60 -64.34 -28.5 69.75 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 111.932 0.345 . . . . 10.0 111.932 -179.218 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -91.29 26.86 2.08 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.457 -0.338 . . . . 10.0 110.841 -179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 5.6 m 62.16 40.54 11.66 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-O 121.291 0.567 . . . . 10.0 110.304 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . 0.407 ' OG ' ' HA3' ' A' ' 28' ' ' GLY . 1.5 p -100.32 150.76 22.24 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.585 -0.734 . . . . 10.0 110.529 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 12.7 mt-10 -117.7 90.47 3.34 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-O 121.201 0.524 . . . . 10.0 109.89 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 32.1 mm -81.63 104.37 10.1 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 CA-C-N 115.718 -0.674 . . . . 10.0 109.402 -179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.642 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 28.0 m170 -87.84 77.79 8.48 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.381 0.61 . . . . 10.0 110.537 -179.08 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -75.55 116.87 16.72 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.713 -0.676 . . . . 10.0 110.561 -179.614 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' HB3' HG22 ' B' ' 363' ' ' VAL . 11.4 ttmt -91.7 104.08 16.59 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.05 0.452 . . . . 10.0 109.809 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.439 HG22 ' HB ' ' A' ' 22' ' ' ILE . 6.4 m -90.53 163.61 2.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.889 -0.596 . . . . 10.0 111.482 -178.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -105.46 127.6 53.09 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.581 -0.736 . . . . 10.0 110.121 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.542 ' O ' ' HB ' ' A' ' 41' ' ' THR . 61.7 tpp -76.07 84.4 2.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.465 -0.334 . . . . 10.0 110.707 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.542 ' HB ' ' O ' ' A' ' 40' ' ' MET . 11.0 t 170.05 -27.31 0.0 OUTLIER 'General case' 0 CA--C 1.53 0.187 0 CA-C-N 115.755 -0.657 . . . . 10.0 110.49 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -99.95 150.2 22.66 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.25 -0.432 . . . . 10.0 110.897 -179.538 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 2.6 m80 -69.99 150.57 46.54 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 109.779 -0.452 . . . . 10.0 109.779 178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 78.6 mt -66.53 -8.15 24.72 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.331 -0.395 . . . . 10.0 111.29 -179.6 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.417 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 53.5 tptt -57.61 -47.98 80.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.827 0.346 . . . . 10.0 110.233 178.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 42.1 tptt -67.46 -26.27 66.3 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.821 -0.627 . . . . 10.0 110.699 -179.476 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 47' ' ' LEU . 4.0 mm? -80.03 -43.84 21.2 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.299 -0.409 . . . . 10.0 110.5 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 56.2 mtpt -59.9 -43.7 94.68 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.815 -0.63 . . . . 10.0 111.465 -179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 7.4 pt-20 -66.81 -42.87 85.2 Favored 'General case' 0 C--N 1.331 -0.213 0 C-N-CA 120.972 -0.291 . . . . 10.0 110.703 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.414 ' N ' ' HG3' ' A' ' 49' ' ' GLU . 50.9 m -62.06 -36.95 83.18 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.336 -0.393 . . . . 10.0 110.591 179.62 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -63.51 -43.71 96.39 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 109.867 -0.42 . . . . 10.0 109.867 178.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.425 ' SG ' ' HA ' ' A' ' 59' ' ' MET . 56.4 m -63.66 -41.68 98.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.912 -0.586 . . . . 10.0 110.382 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.444 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 96.5 mt-30 -62.33 -34.68 77.1 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 115.879 -0.6 . . . . 10.0 110.406 179.413 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 50.3 ttt85 -73.44 -36.35 65.9 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.99 -0.55 . . . . 10.0 110.211 179.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.9 mm100 -69.47 -40.18 77.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.625 179.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 109.43 9.94 24.48 Favored Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.778 -0.725 . . . . 10.0 112.16 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.8 m -123.13 158.48 57.77 Favored Pre-proline 0 C--N 1.323 -0.547 0 N-CA-C 110.125 -0.324 . . . . 10.0 110.125 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 16.6 Cg_exo -67.89 166.55 24.18 Favored 'Trans proline' 0 C--O 1.235 0.342 0 C-N-CA 122.401 2.067 . . . . 10.0 112.123 179.704 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . 0.425 ' HA ' ' SG ' ' A' ' 52' ' ' CYS . 8.5 ttt -73.31 161.57 30.34 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.211 -0.449 . . . . 10.0 110.694 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 16.7 t30 80.1 -28.86 0.14 Allowed 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.906 0.882 . . . . 10.0 111.678 179.408 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -61.44 -31.72 71.67 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.061 0.458 . . . . 10.0 110.915 179.37 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 76.3 mt -108.54 129.61 55.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.862 -0.608 . . . . 10.0 110.756 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.507 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 14.8 ptt-85 -103.61 127.37 51.05 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.079 -0.509 . . . . 10.0 109.788 179.252 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.488 ' HB3' HD11 ' A' ' 88' ' ' ILE . 79.8 m-85 -93.85 114.22 26.42 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.951 -0.568 . . . . 10.0 109.681 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 82.1 mt -98.43 122.94 42.24 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 121.229 0.537 . . . . 10.0 111.073 -179.073 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -128.66 111.24 12.97 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.327 -0.851 . . . . 10.0 109.355 179.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 43.4 mm-40 61.51 30.47 18.79 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.02 -0.536 . . . . 10.0 111.362 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 96.9 -34.7 4.87 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.888 -0.673 . . . . 10.0 112.535 179.538 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -83.25 159.73 21.9 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.614 0.245 . . . . 10.0 110.42 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -102.15 130.21 48.72 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 120.861 0.362 . . . . 10.0 110.057 179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 43.0 mm -65.15 123.02 17.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.807 -0.633 . . . . 10.0 111.386 -179.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.48 178.85 8.02 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.709 -0.678 . . . . 10.0 110.11 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 18.6 m-20 -80.36 -30.32 37.95 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.012 0.434 . . . . 10.0 110.678 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 19.8 p-10 -96.55 28.66 3.26 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.999 -0.546 . . . . 10.0 111.431 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -92.81 135.94 33.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.012 0.434 . . . . 10.0 110.495 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.657 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -111.37 141.75 25.07 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 115.803 -0.635 . . . . 10.0 110.321 -179.817 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 38.4 Cg_exo -61.02 -13.38 27.25 Favored 'Trans proline' 0 C--N 1.348 0.521 0 C-N-CA 122.665 2.243 . . . . 10.0 112.884 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.5 tppt? -73.69 -34.83 65.04 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.11 0.481 . . . . 10.0 110.667 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.657 ' HG2' ' O ' ' A' ' 76' ' ' THR . 11.6 pt-20 -90.07 -179.81 5.77 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.071 -0.513 . . . . 10.0 110.463 -179.445 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 9.8 mt 72.21 -60.9 0.51 Allowed 'General case' 0 N--CA 1.469 0.519 0 O-C-N 123.702 0.626 . . . . 10.0 111.063 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 130.78 48.25 0.12 Allowed Glycine 0 N--CA 1.445 -0.742 0 C-N-CA 121.026 -0.607 . . . . 10.0 112.089 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 47.0 mtt -82.64 137.15 34.58 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.729 0.3 . . . . 10.0 110.637 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 2.0 mm-40 -138.04 -170.82 2.87 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.118 -0.492 . . . . 10.0 110.391 -179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.62 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 6.0 tp10 -78.38 148.67 33.58 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.55 -0.537 . . . . 10.0 109.55 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.6 mm-40 61.77 27.44 16.78 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 121.036 0.446 . . . . 10.0 110.512 -179.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.441 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.4 t0 -74.28 157.36 35.94 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.643 -0.708 . . . . 10.0 110.514 -179.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 67.9 t -120.42 127.94 75.96 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 CA-C-O 121.103 0.478 . . . . 10.0 111.258 -178.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.488 HD11 ' HB3' ' A' ' 64' ' ' PHE . 17.7 tt -134.25 139.94 47.08 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 CA-C-N 115.555 -0.748 . . . . 10.0 109.184 178.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 32.1 mt-10 -103.55 152.43 21.72 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.927 0.394 . . . . 10.0 111.398 -178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.7 p -131.28 123.34 52.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 115.916 -0.583 . . . . 10.0 110.216 178.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 98.0 m-85 -130.45 163.15 27.6 Favored 'General case' 0 C--N 1.321 -0.673 0 N-CA-C 109.589 -0.522 . . . . 10.0 109.589 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -93.74 138.32 32.05 Favored 'General case' 0 C--N 1.321 -0.665 0 C-N-CA 120.757 -0.377 . . . . 10.0 110.713 -179.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.507 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 3.9 mm-40 -72.22 171.78 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.799 -0.637 . . . . 10.0 110.455 179.686 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.7 tt0 -80.39 -21.37 42.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.924 0.392 . . . . 10.0 111.084 -179.329 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.4 p -72.25 -37.12 69.19 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.139 0.495 . . . . 10.0 110.765 179.467 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 81.32 22.79 59.95 Favored Glycine 0 N--CA 1.447 -0.609 0 N-CA-C 111.198 -0.761 . . . . 10.0 111.198 -178.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.66 -1.078 . . . . 10.0 111.442 179.729 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 26.2 p-10 . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.8 0.333 . . . . 10.0 110.696 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 28.7 p-10 -166.25 28.17 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.035 -0.53 . . . . 10.0 110.306 179.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.444 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 1.8 ptp180 -133.98 130.95 38.37 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.001 -0.545 . . . . 10.0 111.638 -178.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . 0.41 ' HA ' ' HD3' ' B' ' 361' ' ' PRO . 3.0 p-10 -139.23 137.14 18.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 116.382 -0.372 . . . . 10.0 110.721 179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.642 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 96.6 Cg_endo -88.58 145.2 5.74 Favored 'Trans proline' 0 CA--C 1.533 0.46 0 C-N-CA 123.039 2.493 . . . . 10.0 113.497 -179.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 4.5 mp -134.6 131.38 54.02 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.228 0 CA-C-N 115.891 -0.595 . . . . 10.0 111.226 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . 0.403 HG22 ' HB3' ' A' ' 37' ' ' LYS . 55.7 t -123.65 120.48 60.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.631 -0.507 . . . . 10.0 109.631 179.063 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 4.8 pt -91.91 -172.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 10.0 111.573 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 2.3 m -105.51 117.8 34.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.134 -0.484 . . . . 10.0 111.076 -179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 8.1 t70 -79.66 98.14 6.83 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.019 -0.734 . . . . 10.0 109.019 178.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . 0.438 ' HA ' ' HD3' ' B' ' 368' ' ' PRO . 0.7 OUTLIER -135.07 122.44 15.15 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.022 -0.535 . . . . 10.0 110.991 -178.764 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' B' ' 367' ' ' SER . 7.5 Cg_exo . . . . . 0 C--O 1.251 1.133 0 C-N-CA 122.897 2.398 . . . . 10.0 111.975 179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.225 -0.287 . . . . 10.0 110.225 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.7 mm -111.65 123.36 67.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 N-CA-C 109.478 -0.564 . . . . 10.0 109.478 179.596 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.437 ' HB3' ' HZ3' ' A' ' 23' ' ' LYS . 4.4 ttpm? -108.71 117.4 34.1 Favored 'General case' 0 C--N 1.318 -0.796 0 CA-C-O 120.921 0.391 . . . . 10.0 111.073 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 88.1 mt -103.55 144.0 31.99 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.89 -0.596 . . . . 10.0 110.062 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.522 ' HE3' ' OE2' ' A' ' 33' ' ' GLU . 38.9 mtpt -107.96 114.89 29.14 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.023 0.439 . . . . 10.0 110.931 -179.644 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.427 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 2.6 t -97.38 123.56 49.83 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.678 0 CA-C-N 115.787 -0.642 . . . . 10.0 109.379 179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 42.7 mm -92.67 114.55 29.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.704 0 CA-C-N 116.339 -0.391 . . . . 10.0 110.915 -179.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.84 167.58 40.42 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.769 -0.729 . . . . 10.0 112.161 179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 18.8 tp60 -70.43 -15.04 62.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.307 0.575 . . . . 10.0 110.52 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -91.5 10.92 25.8 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.691 -0.686 . . . . 10.0 109.905 178.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.8 m 66.69 31.55 7.54 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 115.461 -0.79 . . . . 10.0 111.368 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 17.2 p -88.33 160.09 17.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.122 -0.49 . . . . 10.0 110.125 179.448 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.522 ' OE2' ' HE3' ' A' ' 25' ' ' LYS . 8.9 tt0 -122.14 82.81 2.01 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 121.124 0.488 . . . . 10.0 109.834 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.427 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 14.4 mm -67.75 120.77 15.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.783 -0.644 . . . . 10.0 110.615 -179.507 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.592 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 21.4 m170 -100.02 88.37 3.73 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 121.382 0.61 . . . . 10.0 110.643 -179.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -86.65 118.36 26.01 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.744 -0.662 . . . . 10.0 110.411 -179.454 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 32.5 ttmt -95.71 111.25 23.24 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.94 0.4 . . . . 10.0 109.938 179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 10.2 m -113.41 173.67 2.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 116.003 -0.544 . . . . 10.0 111.142 -179.167 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 77.0 tttt -115.88 142.23 47.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.897 -0.592 . . . . 10.0 109.607 179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.523 ' O ' ' HB ' ' A' ' 41' ' ' THR . 53.4 tpp -77.59 79.99 4.07 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.197 0.522 . . . . 10.0 110.569 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.523 ' HB ' ' O ' ' A' ' 40' ' ' MET . 4.8 t 172.15 -20.18 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.139 -0.937 . . . . 10.0 110.047 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.45 128.94 35.01 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 116.076 -0.511 . . . . 10.0 110.836 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -62.84 143.8 57.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.116 -0.493 . . . . 10.0 110.042 179.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.5 mt -61.65 -20.52 63.48 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-N 116.634 -0.257 . . . . 10.0 111.0 -179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.476 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 50.6 tptt -57.03 -42.07 79.76 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.279 -0.419 . . . . 10.0 109.887 178.529 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 43.1 tptt -69.18 -35.36 76.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.881 -0.6 . . . . 10.0 110.661 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -72.26 -39.32 68.49 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.31 -0.404 . . . . 10.0 110.665 -179.83 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.1 mtpt -62.41 -45.92 90.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 10.0 111.181 -179.617 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -69.47 -37.07 77.14 Favored 'General case' 0 C--N 1.331 -0.229 0 C-N-CA 120.926 -0.31 . . . . 10.0 110.927 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.1 m -66.01 -36.92 84.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.368 . . . . 10.0 110.714 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -65.88 -36.64 83.97 Favored 'General case' 0 C--N 1.331 -0.239 0 N-CA-C 109.717 -0.475 . . . . 10.0 109.717 179.112 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 82.5 m -62.86 -39.52 94.67 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.246 0.546 . . . . 10.0 109.743 179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -70.05 -32.83 71.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.661 -0.7 . . . . 10.0 110.092 178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -66.41 -39.82 89.22 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.902 -0.59 . . . . 10.0 110.455 179.371 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.8 mm100 -80.62 -34.73 34.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.178 -0.465 . . . . 10.0 110.62 179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 99.05 36.46 4.44 Favored Glycine 0 N--CA 1.448 -0.522 0 C-N-CA 120.789 -0.72 . . . . 10.0 112.424 179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.2 m -137.91 156.2 74.37 Favored Pre-proline 0 C--N 1.325 -0.493 0 N-CA-C 109.852 -0.425 . . . . 10.0 109.852 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -67.24 162.24 39.44 Favored 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.391 2.061 . . . . 10.0 111.618 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 13.7 ttt -72.81 157.36 37.62 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.66 -0.246 . . . . 10.0 110.967 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 80.22 -14.7 0.82 Allowed 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.18 0.992 . . . . 10.0 111.6 179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.1 m -71.51 -30.52 66.03 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.286 0.565 . . . . 10.0 109.897 178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 63.7 mt -116.58 129.88 56.42 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-N 115.547 -0.751 . . . . 10.0 110.094 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 9.9 ptt180 -104.01 129.97 51.65 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.071 0.462 . . . . 10.0 110.261 179.591 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.407 ' O ' ' HA ' ' A' ' 70' ' ' ARG . 91.0 m-85 -88.91 127.82 35.66 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.69 -0.686 . . . . 10.0 109.885 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 73.4 mt -114.2 124.87 53.12 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-O 121.288 0.566 . . . . 10.0 111.173 -179.135 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.504 ' HB3' HD11 ' A' ' 71' ' ' ILE . 73.1 t80 -142.81 132.57 23.99 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-N 114.948 -1.024 . . . . 10.0 108.367 179.121 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.2 mm-40 64.54 18.0 11.15 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.298 0.57 . . . . 10.0 110.209 -178.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 82.73 3.62 90.42 Favored Glycine 0 N--CA 1.45 -0.426 0 CA-C-N 115.689 -0.687 . . . . 10.0 112.111 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 21.4 mt-30 -116.37 160.78 20.03 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.102 -0.333 . . . . 10.0 110.102 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.407 ' HA ' ' O ' ' A' ' 64' ' ' PHE . 10.8 ptm180 -90.61 128.68 36.68 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.038 0.447 . . . . 10.0 110.292 179.382 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 66' ' ' PHE . 40.7 mm -65.89 119.83 11.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.766 -0.652 . . . . 10.0 111.138 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.47 165.57 23.61 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.988 -0.551 . . . . 10.0 110.442 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.476 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 13.2 m-20 -73.19 -21.84 60.59 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.491 -0.322 . . . . 10.0 111.164 -179.631 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -96.07 3.24 53.51 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.467 -0.333 . . . . 10.0 111.649 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 6.5 m170 -76.32 144.18 40.35 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.046 0.45 . . . . 10.0 111.122 -179.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.574 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.0 OUTLIER -121.4 149.81 53.05 Favored Pre-proline 0 C--N 1.322 -0.608 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.241 179.401 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_exo -63.46 -14.1 40.26 Favored 'Trans proline' 0 N--CA 1.477 0.524 0 C-N-CA 122.671 2.247 . . . . 10.0 112.981 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -71.66 -29.87 65.09 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.216 -0.447 . . . . 10.0 110.523 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.574 ' HG2' ' O ' ' A' ' 76' ' ' THR . 10.4 pt-20 -100.96 -177.04 3.34 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.261 -0.427 . . . . 10.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.0 mt 73.12 -42.52 0.53 Allowed 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.435 0.694 . . . . 10.0 111.625 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 111.01 46.12 0.84 Allowed Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.899 -0.667 . . . . 10.0 112.376 179.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 52.7 mtt -80.96 123.68 28.52 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.826 0.346 . . . . 10.0 110.544 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 19.6 mt-10 -114.9 -177.63 3.17 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.074 0.464 . . . . 10.0 110.988 -179.84 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 30.8 tp10 -78.05 140.26 39.12 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.656 -0.868 . . . . 10.0 108.656 178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 32.2 mm-40 66.95 26.0 9.24 Favored 'General case' 0 N--CA 1.463 0.206 0 O-C-N 123.476 0.485 . . . . 10.0 110.404 -179.324 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 1.5 t0 -73.64 162.12 29.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.068 -0.515 . . . . 10.0 110.743 -179.736 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -114.27 123.75 70.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.066 0.46 . . . . 10.0 111.266 -178.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.9 tt -126.61 138.21 55.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 115.834 -0.621 . . . . 10.0 109.464 178.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -104.12 156.95 17.46 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.011 0.434 . . . . 10.0 111.036 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 6.0 p -147.23 124.1 3.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.014 -0.539 . . . . 10.0 109.918 179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -135.2 162.59 32.11 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.352 -0.385 . . . . 10.0 110.82 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -77.45 136.11 38.34 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 116.115 -0.493 . . . . 10.0 110.777 -179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.513 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 2.3 mm-40 -74.24 159.53 32.36 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.035 -0.53 . . . . 10.0 109.862 178.836 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.44 -23.16 63.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.159 0.504 . . . . 10.0 110.403 179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 2.8 p -71.37 -60.67 2.11 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.587 -0.733 . . . . 10.0 110.525 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 114.69 3.39 22.13 Favored Glycine 0 N--CA 1.448 -0.562 0 CA-C-N 115.659 -0.701 . . . . 10.0 111.755 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.028 0 CA-C-O 118.753 -1.026 . . . . 10.0 111.302 179.738 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 . . . . . 0 N--CA 1.478 0.964 0 CA-C-O 120.758 0.313 . . . . 10.0 110.157 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 24.5 p30 -139.87 35.36 1.97 Allowed 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.41 -0.359 . . . . 10.0 110.994 -179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.462 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 57.1 mtt180 -115.27 96.45 5.67 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.032 -0.531 . . . . 10.0 110.251 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -106.24 124.5 35.62 Favored Pre-proline 0 C--N 1.324 -0.533 0 CA-C-O 120.957 0.408 . . . . 10.0 110.994 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.592 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 72.2 Cg_endo -79.59 111.37 2.79 Favored 'Trans proline' 0 C--N 1.347 0.47 0 C-N-CA 123.116 2.544 . . . . 10.0 112.741 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 33.0 mt -102.56 119.41 50.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.17 -0.468 . . . . 10.0 111.171 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 4.0 t -120.71 112.65 36.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.135 -0.484 . . . . 10.0 109.956 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 1.2 pp -106.21 158.34 6.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 120.975 0.417 . . . . 10.0 111.182 -179.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 4.4 m -115.66 149.75 37.85 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.01 -0.541 . . . . 10.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -113.5 154.52 26.92 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 109.64 -0.504 . . . . 10.0 109.64 179.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -135.95 142.01 38.77 Favored Pre-proline 0 C--N 1.32 -0.692 0 CA-C-N 116.582 -0.281 . . . . 10.0 110.456 -179.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_endo . . . . . 0 C--O 1.249 1.069 0 C-N-CA 122.71 2.273 . . . . 10.0 111.704 179.566 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.3 m-85 . . . . . 0 N--CA 1.481 1.103 0 N-CA-C 110.193 -0.299 . . . . 10.0 110.193 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.1 mm -113.92 125.54 71.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.115 -0.328 . . . . 10.0 110.115 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.487 ' HB3' ' OE2' ' A' ' 84' ' ' GLU . 0.5 OUTLIER -107.68 123.8 49.04 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 120.923 0.392 . . . . 10.0 110.57 179.945 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 45.8 mt -106.3 149.89 26.48 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.945 -0.571 . . . . 10.0 110.61 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.8 mtpp -97.14 97.47 9.23 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.792 -0.447 . . . . 10.0 109.792 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.539 ' HB ' ' HB ' ' A' ' 34' ' ' ILE . 3.5 t -89.01 111.98 23.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-O 121.041 0.448 . . . . 10.0 110.229 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 34.0 mm -89.72 116.01 30.36 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 CA-C-N 115.875 -0.602 . . . . 10.0 110.458 -179.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -93.45 166.95 28.37 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.773 -0.727 . . . . 10.0 112.718 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLN . . . . . . . . . . . . . 20.4 tp60 -66.02 -21.38 66.39 Favored 'General case' 0 C--O 1.235 0.313 0 CA-C-O 121.167 0.508 . . . . 10.0 110.88 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ASP . . . . . . . . . . . . . 10.7 p-10 -84.38 12.3 7.01 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.827 -0.624 . . . . 10.0 110.85 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.3 m 58.95 61.48 2.13 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.691 -0.686 . . . . 10.0 111.508 179.36 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' SER . . . . . . . . . . . . . 7.5 p -133.81 153.32 51.81 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.852 -0.613 . . . . 10.0 110.222 179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.577 ' O ' ' HA ' ' B' ' 359' ' ' ARG . 32.7 tt0 -109.45 89.3 2.96 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.41 -0.589 . . . . 10.0 109.41 179.478 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.539 ' HB ' ' HB ' ' A' ' 26' ' ' VAL . 45.9 mm -74.9 119.69 22.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 109.746 -0.465 . . . . 10.0 109.746 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.519 ' O ' ' HA ' ' B' ' 361' ' ' PRO . 16.5 m170 -95.14 71.56 3.32 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.669 -0.696 . . . . 10.0 110.67 -179.029 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -77.72 119.56 21.41 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 116.021 -0.536 . . . . 10.0 110.354 -179.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 13.9 ttmt -91.82 113.08 25.26 Favored 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.576 -0.527 . . . . 10.0 109.576 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 5.8 m -101.39 158.1 4.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 CA-C-O 121.313 0.578 . . . . 10.0 111.708 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -101.66 122.87 44.68 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.475 -0.784 . . . . 10.0 109.596 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.612 ' O ' ' HB ' ' A' ' 41' ' ' THR . 56.4 tpp -74.03 89.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.917 0.389 . . . . 10.0 111.104 -179.412 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.612 ' HB ' ' O ' ' A' ' 40' ' ' MET . 0.9 OUTLIER 167.67 -26.77 0.0 OUTLIER 'General case' 0 C--O 1.233 0.195 0 CA-C-N 115.412 -0.813 . . . . 10.0 109.674 179.422 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.6 148.94 23.78 Favored 'General case' 0 N--CA 1.451 -0.405 0 CA-C-N 116.03 -0.532 . . . . 10.0 110.696 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' HIS . . . . . . . . . . . . . 7.9 m80 -68.39 154.61 41.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.426 -0.352 . . . . 10.0 110.13 179.159 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.439 HD12 ' HB3' ' A' ' 75' ' ' HIS . 61.6 mt -65.48 -12.39 52.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.256 -0.429 . . . . 10.0 111.241 -179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . 0.434 ' HB2' ' O ' ' A' ' 73' ' ' ASP . 35.4 tptt -53.92 -49.13 69.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 10.0 110.52 179.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.2 tptt -67.29 -31.38 71.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.741 -0.663 . . . . 10.0 111.313 -179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.434 HD23 ' HA ' ' A' ' 44' ' ' LEU . 2.4 mm? -75.4 -40.62 57.64 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 120.933 0.397 . . . . 10.0 110.832 -179.702 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.1 mtpt -64.14 -44.31 92.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.048 -0.524 . . . . 10.0 111.701 -179.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 53' ' ' GLN . 9.2 pt-20 -66.94 -38.61 86.48 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.85 -0.34 . . . . 10.0 110.779 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 51.0 m -65.38 -34.5 78.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.785 0.326 . . . . 10.0 110.741 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 0.402 ' O ' ' HG2' ' A' ' 55' ' ' GLN . 64.5 t80 -62.79 -43.44 98.79 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.206 -0.664 . . . . 10.0 109.206 178.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 34.7 m -63.02 -42.89 99.9 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-N 115.748 -0.66 . . . . 10.0 110.102 179.617 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.411 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 97.1 mt-30 -61.31 -44.37 97.32 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.789 -0.641 . . . . 10.0 110.778 179.671 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 9.0 tpt180 -64.5 -43.17 94.95 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-N 116.113 -0.494 . . . . 10.0 111.056 179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' HG2' ' O ' ' A' ' 51' ' ' TYR . 13.5 mm100 -67.95 -37.42 81.57 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.458 -0.337 . . . . 10.0 110.798 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 103.54 27.51 6.39 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 121.03 -0.605 . . . . 10.0 111.822 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.2 m -126.58 157.34 71.22 Favored Pre-proline 0 C--N 1.324 -0.517 0 N-CA-C 110.372 -0.233 . . . . 10.0 110.372 -179.571 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . . . . . . . . . 49.9 Cg_endo -70.69 156.72 60.38 Favored 'Trans proline' 0 N--CA 1.461 -0.411 0 C-N-CA 122.243 1.962 . . . . 10.0 111.503 178.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' MET . . . . . . . . . . . . . 23.5 ttt -68.09 149.93 49.03 Favored 'General case' 0 C--N 1.32 -0.688 0 C-N-CA 121.135 -0.226 . . . . 10.0 110.616 179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 2.7 t30 79.73 0.07 2.16 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 123.993 0.808 . . . . 10.0 112.241 179.031 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 78.1 p -82.19 -25.85 33.89 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 121.246 0.546 . . . . 10.0 110.023 179.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 50.8 mt -119.07 143.77 46.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.533 -0.758 . . . . 10.0 110.287 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.51 ' HD3' ' OE1' ' A' ' 93' ' ' GLU . 24.7 ptt-85 -116.09 136.95 52.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.933 0.397 . . . . 10.0 110.301 179.54 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.403 ' HB3' HD11 ' A' ' 88' ' ' ILE . 82.2 m-85 -94.31 125.26 38.84 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.745 -0.661 . . . . 10.0 109.874 179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 74.7 mt -109.38 117.44 34.05 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.036 0.446 . . . . 10.0 111.072 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.423 ' HB3' HD11 ' A' ' 71' ' ' ILE . 66.9 t80 -127.64 122.62 33.56 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.475 -0.784 . . . . 10.0 108.943 179.37 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 65.14 17.77 11.18 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 121.272 0.558 . . . . 10.0 110.278 -179.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 89.47 -0.16 80.29 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.935 -0.65 . . . . 10.0 112.298 -179.342 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLN . . . . . . . . . . . . . 98.8 mt-30 -108.07 160.94 15.41 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 110.085 -0.339 . . . . 10.0 110.085 179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 11.9 ptm180 -95.05 122.9 38.19 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.074 0.464 . . . . 10.0 110.717 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.423 HD11 ' HB3' ' A' ' 66' ' ' PHE . 43.1 mm -64.69 126.07 22.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.671 -0.695 . . . . 10.0 110.967 -179.726 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.8 -176.05 4.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.854 -0.612 . . . . 10.0 110.386 -179.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.434 ' O ' ' HB2' ' A' ' 45' ' ' LYS . 4.3 m-20 -94.89 -12.68 26.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.899 0.38 . . . . 10.0 110.9 -179.557 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.5 p-10 -104.97 16.41 25.97 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.044 -0.525 . . . . 10.0 110.644 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.439 ' HB3' HD12 ' A' ' 44' ' ' LEU . 1.0 OUTLIER -82.18 143.22 31.57 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.193 0.52 . . . . 10.0 111.307 -179.411 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.538 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 0.2 OUTLIER -119.3 143.99 35.45 Favored Pre-proline 0 C--N 1.321 -0.66 0 CA-C-N 115.547 -0.751 . . . . 10.0 109.021 178.807 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -63.68 -6.78 11.29 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.469 2.113 . . . . 10.0 112.936 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -78.81 -30.41 45.39 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.821 0.343 . . . . 10.0 110.721 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.538 ' HG2' ' O ' ' A' ' 76' ' ' THR . 5.6 pt-20 -96.18 179.26 5.12 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.711 -0.477 . . . . 10.0 109.711 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 15.2 mt 73.39 -41.47 0.5 Allowed 'General case' 0 N--CA 1.472 0.656 0 O-C-N 123.627 0.579 . . . . 10.0 111.598 179.871 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 107.53 48.86 0.89 Allowed Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 121.063 -0.589 . . . . 10.0 111.883 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 53.9 mtt -89.06 123.76 33.66 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.873 0.368 . . . . 10.0 111.15 -179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 86' ' ' ASP . 36.7 mt-10 -122.0 -175.74 3.18 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.158 -0.473 . . . . 10.0 110.254 179.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.487 ' OE2' ' HB3' ' A' ' 23' ' ' LYS . 21.4 tp10 -71.73 138.65 48.65 Favored 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 109.052 -0.721 . . . . 10.0 109.052 178.227 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 84' ' ' GLU . 9.4 mm-40 69.93 24.49 5.17 Favored 'General case' 0 N--CA 1.464 0.245 0 O-C-N 123.569 0.543 . . . . 10.0 111.385 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASP . . . . . 0.403 ' HB2' ' O ' ' A' ' 83' ' ' GLU . 0.4 OUTLIER -78.42 148.57 33.56 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.502 -0.555 . . . . 10.0 109.502 178.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 26.3 t -99.26 131.75 45.98 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 112.516 0.561 . . . . 10.0 112.516 -177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . 0.403 HD11 ' HB3' ' A' ' 64' ' ' PHE . 20.9 tt -141.5 141.65 29.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 N-CA-C 108.508 -0.923 . . . . 10.0 108.508 178.28 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 27.5 mt-10 -114.6 154.67 27.93 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.766 0.317 . . . . 10.0 111.29 -178.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 7.5 p -132.15 132.13 61.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 CA-C-O 121.029 0.442 . . . . 10.0 110.98 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -133.65 167.91 19.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 10.0 110.432 -179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.4 tt0 -83.69 139.78 32.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.99 0.424 . . . . 10.0 111.359 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . 0.51 ' OE1' ' HD3' ' A' ' 63' ' ' ARG . 5.3 mm-40 -79.69 155.08 28.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.817 -0.628 . . . . 10.0 110.271 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 30.9 tt0 -66.98 -31.73 72.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.904 0.383 . . . . 10.0 111.295 -179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.2 p -70.22 -23.49 62.94 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.328 -0.396 . . . . 10.0 111.377 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.78 13.71 82.8 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.704 -0.76 . . . . 10.0 111.823 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.442 -0.954 0 CA-C-O 118.793 -1.004 . . . . 10.0 110.989 -179.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 357' ' ' ASN . . . . . . . . . . . . . 16.4 p-10 . . . . . 0 N--CA 1.481 1.109 0 CA-C-O 121.724 0.773 . . . . 10.0 110.405 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 358' ' ' ASN . . . . . . . . . . . . . 31.0 p-10 -111.86 18.65 18.68 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.505 -0.77 . . . . 10.0 110.92 -179.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 359' ' ' ARG . . . . . 0.577 ' HA ' ' O ' ' A' ' 33' ' ' GLU . 5.2 ptp180 -118.9 135.59 54.49 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.933 -0.576 . . . . 10.0 111.116 -179.081 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 360' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -128.2 112.62 19.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.108 -0.496 . . . . 10.0 110.187 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 361' ' ' PRO . . . . . 0.519 ' HA ' ' O ' ' A' ' 35' ' ' HIS . 73.5 Cg_endo -78.64 132.4 10.92 Favored 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.812 2.342 . . . . 10.0 113.346 -179.272 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 362' ' ' ILE . . . . . . . . . . . . . 10.4 mt -129.11 125.05 61.87 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.155 -0.475 . . . . 10.0 111.638 -179.71 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 363' ' ' VAL . . . . . . . . . . . . . 10.2 t -127.44 108.0 17.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-N 116.148 -0.478 . . . . 10.0 110.039 179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 364' ' ' ILE . . . . . . . . . . . . . 14.6 pt -92.71 -174.66 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-O 120.93 0.395 . . . . 10.0 111.602 -179.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 365' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -95.45 155.0 16.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.921 -0.581 . . . . 10.0 110.963 -179.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 366' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -117.31 96.99 5.67 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.971 0.415 . . . . 10.0 110.217 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 367' ' ' SER . . . . . . . . . . . . . 1.2 m -128.97 106.18 18.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 116.191 -0.458 . . . . 10.0 110.96 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 368' ' ' PRO . . . . . . . . . . . . . 11.7 Cg_exo . . . . . 0 C--O 1.249 1.037 0 C-N-CA 122.893 2.395 . . . . 10.0 112.047 179.656 . . . . . . . . 0 0 . 1 stop_ save_