data_2lv6_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2lv6 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.809 0.337 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -119.95 133.1 55.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.071 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -68.95 140.33 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.03 140.02 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.0 p -90.68 158.79 16.72 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.85 -27.86 68.55 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.495 -0.482 . . . . 1.0 111.576 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -70.81 -39.65 72.95 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.308 0.575 . . . . 1.0 109.558 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.78 -41.52 87.52 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.931 -0.708 . . . . 1.0 110.525 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.93 -41.58 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.594 0.711 . . . . 1.0 110.508 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.56 98.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.589 . . . . 1.0 111.426 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.66 -42.65 99.73 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.335 0.588 . . . . 1.0 109.469 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.417 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 22.9 m-85 -72.56 -29.61 63.7 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.483 -177.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.27 -41.32 96.97 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.091 -1.077 . . . . 1.0 108.091 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.483 ' HG2' ' HB3' ' B' ' 206' ' ' LYS . 5.7 tt0 -65.81 -40.34 91.75 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.743 -0.783 . . . . 1.0 110.57 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.519 ' CB ' ' CG2' ' B' ' 209' ' ' ILE . . . -61.56 -43.56 98.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 120.733 -0.387 . . . . 1.0 111.74 175.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.9 -39.14 77.19 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 120.999 0.428 . . . . 1.0 110.567 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 t -59.69 -32.77 70.8 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.766 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 1.088 ' HB3' ' CB ' ' B' ' 210' ' ' ALA . 0.6 OUTLIER -64.74 -35.66 81.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.565 -0.454 . . . . 1.0 112.216 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.744 ' CE2' ' O ' ' B' ' 210' ' ' ALA . 19.6 m-85 -78.58 -38.52 39.92 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-O 121.317 0.58 . . . . 1.0 112.034 176.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -88.36 69.61 9.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.226 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -63.84 -28.3 69.76 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 114.026 1.121 . . . . 1.0 114.026 -173.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -90.79 -0.42 57.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.183 -1.007 . . . . 1.0 112.667 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.88 24.56 64.79 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 115.789 1.076 . . . . 1.0 115.789 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -88.31 7.04 34.2 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.249 0.833 . . . . 1.0 113.249 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.37 7.64 88.08 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 115.153 0.821 . . . . 1.0 115.153 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -137.55 151.92 48.9 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 118.866 -1.134 . . . . 1.0 108.492 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 58.3 mt -105.45 121.41 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 108.555 -0.905 . . . . 1.0 108.555 173.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.5 p -97.32 174.04 6.9 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.845 0.355 . . . . 1.0 111.229 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -63.55 -34.33 77.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 118.781 -1.167 . . . . 1.0 109.585 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.63 -46.21 89.31 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.784 -0.821 . . . . 1.0 108.784 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -66.05 -42.0 90.12 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.388 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 tp -66.03 -41.7 90.59 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.428 0.632 . . . . 1.0 109.722 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.34 -37.91 95.59 Favored Glycine 0 C--O 1.221 -0.699 0 C-N-CA 120.424 -0.893 . . . . 1.0 111.73 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.3 m -61.78 -45.44 93.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.484 HG22 ' CD1' ' A' ' 19' ' ' PHE . 46.2 t -67.34 -43.4 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 119.3 -0.96 . . . . 1.0 111.195 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 76.5 mtp -61.66 -45.56 93.51 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 120.233 -0.587 . . . . 1.0 112.158 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -63.9 -34.59 78.3 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.331 -0.948 . . . . 1.0 110.107 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 p -66.05 -19.21 65.78 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.436 -0.505 . . . . 1.0 111.358 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.485 ' CD2' HG13 ' A' ' 91' ' ' VAL . 4.0 mt -100.21 17.13 22.06 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.402 0.519 . . . . 1.0 112.402 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.22 2.66 87.76 Favored Glycine 0 C--O 1.246 0.845 0 N-CA-C 118.084 1.994 . . . . 1.0 118.084 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -85.04 163.07 19.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.198 0.523 . . . . 1.0 110.602 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -133.5 59.37 40.04 Favored Pre-proline 0 CA--C 1.506 -0.731 0 C-N-CA 120.334 -0.546 . . . . 1.0 112.078 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -68.63 154.98 70.41 Favored 'Trans proline' 0 C--N 1.323 -0.806 0 O-C-N 122.317 0.64 . . . . 1.0 113.738 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -94.01 162.69 13.79 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.218 -1.401 . . . . 1.0 107.218 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -58.27 -37.09 74.29 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.386 -0.526 . . . . 1.0 111.653 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.51 92.83 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -60.49 -42.95 97.36 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 117.576 -1.649 . . . . 1.0 111.375 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.63 -39.75 94.84 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 117.895 -1.522 . . . . 1.0 110.548 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.43 -39.5 92.15 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 118.963 -1.095 . . . . 1.0 111.422 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -62.84 -41.16 99.23 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.516 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.454 ' CE ' ' HB3' ' B' ' 217' ' ' PHE . 96.0 mtp -60.71 -48.04 83.58 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.887 0.851 . . . . 1.0 110.796 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.92 -45.44 98.86 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 119.85 -0.74 . . . . 1.0 111.112 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -52.32 -38.63 59.05 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-O 121.267 0.556 . . . . 1.0 112.125 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.469 ' HB3' ' CE1' ' B' ' 217' ' ' PHE . 3.2 tp10 -60.24 -34.85 74.27 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.141 0.793 . . . . 1.0 113.141 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.423 ' HB ' ' CZ ' ' B' ' 217' ' ' PHE . 7.8 p -105.7 -3.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 113.156 0.798 . . . . 1.0 113.156 -176.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -79.66 80.06 6.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 115.312 1.597 . . . . 1.0 115.312 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.34 68.37 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 114.932 1.456 . . . . 1.0 114.932 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -100.89 6.0 43.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 115.442 1.645 . . . . 1.0 115.442 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.21 21.41 66.14 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 116.557 1.383 . . . . 1.0 116.557 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -89.42 3.46 52.21 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 114.902 1.445 . . . . 1.0 114.902 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.38 -2.5 87.46 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 115.766 1.066 . . . . 1.0 115.766 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.5 p -135.13 167.72 20.45 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.046 0.923 . . . . 1.0 111.519 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 72.4 mt -106.69 122.73 61.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.904 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -96.17 174.23 7.01 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.669 -0.813 . . . . 1.0 111.751 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -61.92 -44.78 91.22 Favored Pre-proline 0 C--N 1.321 -0.636 0 C-N-CA 117.813 -1.555 . . . . 1.0 112.391 -173.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 77.6 Cg_exo -54.35 -43.72 56.06 Favored 'Trans proline' 0 C--N 1.33 -0.409 0 CA-C-O 118.268 -0.805 . . . . 1.0 112.53 174.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -64.15 -37.38 87.25 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 118.896 0.771 . . . . 1.0 110.727 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -64.93 -41.29 95.67 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.414 HD23 ' HA ' ' A' ' 69' ' ' LEU . 36.6 mt -62.55 -43.14 99.56 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.48 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -60.16 -39.63 87.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.655 0.74 . . . . 1.0 110.102 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.41 ' HB2' HG22 ' A' ' 55' ' ' VAL . 15.4 tmm? -65.84 -40.4 91.7 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.264 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.417 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 80.3 mmm -70.5 -33.66 71.46 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 119.196 -1.002 . . . . 1.0 111.962 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.06 -42.42 94.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.665 -0.865 . . . . 1.0 108.665 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -59.97 -50.2 74.7 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.649 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.445 ' HD2' ' CD ' ' A' ' 84' ' ' GLU . 25.6 ttpp -55.05 -44.82 75.06 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.179 0.436 . . . . 1.0 112.179 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -40.0 69.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -65.57 -51.02 62.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.402 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -71.22 113.66 8.49 Favored 'General case' 0 CA--C 1.522 -0.12 0 C-N-CA 120.556 -0.457 . . . . 0.0 109.912 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.409 ' O ' ' HB3' ' A' ' 80' ' ' ASP . 52.8 m 59.96 -89.12 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.409 ' HB3' ' O ' ' A' ' 79' ' ' THR . 28.4 p-10 170.1 37.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.49 0.316 . . . . 0.0 111.151 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER 51.74 -145.66 0.52 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.551 -179.216 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.589 ' CB ' ' O ' ' A' ' 81' ' ' SER . 11.5 tm-20 112.85 -46.25 0.0 OUTLIER 'General case' 0 C--N 1.37 1.484 0 C-N-CA 124.912 1.285 . . . . 1.0 110.981 176.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -63.9 -37.58 87.91 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 120.437 -0.505 . . . . 1.0 111.471 177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.758 ' HG3' ' HB2' ' B' ' 216' ' ' ARG 0.26 3.9 tt0 -49.47 -50.49 41.01 Favored 'General case' 0 CA--C 1.571 1.768 0 CA-C-O 124.701 2.191 . . . . 1.0 110.99 175.516 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.672 ' HA ' ' HE1' ' B' ' 208' ' ' PHE . 0.5 OUTLIER -72.22 -38.59 62.68 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 112.701 -2.045 . . . . 1.0 111.253 -177.335 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.479 ' HE ' ' CD ' ' A' ' 82' ' ' GLU . 39.2 mtm105 -62.17 -45.66 92.4 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.989 -0.685 . . . . 1.0 112.156 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.66 ' OE1' ' ND2' ' B' ' 215' ' ' ASN . 80.7 mt-10 -65.42 -35.16 80.09 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.555 -1.258 . . . . 1.0 110.483 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.499 ' HA ' HG11 ' A' ' 91' ' ' VAL . . . -63.75 -44.87 92.21 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 119.76 -0.776 . . . . 1.0 111.31 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.62 -45.0 77.62 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.673 -0.811 . . . . 1.0 109.965 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -61.57 -30.87 70.94 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.87 1.063 . . . . 1.0 113.87 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG11 ' HA ' ' A' ' 88' ' ' ALA . 1.0 OUTLIER -61.43 -47.56 92.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 CA-C-O 121.157 0.504 . . . . 1.0 111.007 175.097 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.508 ' CD2' HG22 ' A' ' 108' ' ' VAL . 63.0 m-85 -69.76 -40.59 76.01 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.355 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -80.26 77.44 7.0 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.416 0.627 . . . . 1.0 110.107 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.47 ' HE2' ' CG1' ' A' ' 108' ' ' VAL . 72.8 mmtt -60.81 -38.57 85.86 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 114.209 1.189 . . . . 1.0 114.209 -170.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -88.88 -3.04 58.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.032 -1.067 . . . . 1.0 113.314 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.95 22.58 74.07 Favored Glycine 0 C--N 1.335 0.474 0 N-CA-C 117.617 1.807 . . . . 1.0 117.617 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -85.9 1.11 51.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 115.536 1.68 . . . . 1.0 115.536 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.74 -2.03 64.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.038 -1.077 . . . . 1.0 115.643 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -134.85 139.88 45.38 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.449 ' HB ' HG21 ' A' ' 136' ' ' VAL . 32.8 mt -95.14 117.51 39.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 106.557 -1.646 . . . . 1.0 106.557 171.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.8 p -84.88 165.35 17.76 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.361 0.6 . . . . 1.0 111.339 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.66 80.96 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 120.21 -0.596 . . . . 1.0 110.02 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.36 98.18 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.635 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -64.42 -41.41 96.62 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.02 -0.672 . . . . 1.0 110.752 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.482 ' O ' ' CG2' ' A' ' 108' ' ' VAL . 26.5 tp -63.62 -45.39 90.52 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.456 -0.942 . . . . 1.0 108.456 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -64.77 -39.26 93.32 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.162 -1.015 . . . . 1.0 110.35 -176.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -60.18 -47.13 87.23 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.355 0.409 . . . . 1.0 110.929 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.508 HG22 ' CD2' ' A' ' 92' ' ' PHE . 15.6 m -61.68 -50.42 80.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 O-C-N 123.416 0.447 . . . . 1.0 111.062 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.432 ' HG2' ' O ' ' A' ' 105' ' ' LEU . 85.1 mmm -60.43 -43.52 96.72 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.164 -1.014 . . . . 1.0 110.939 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.3 m -61.32 -41.46 97.05 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.135 0.493 . . . . 1.0 111.116 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -62.05 -38.69 89.67 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.872 -0.731 . . . . 1.0 109.943 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.7 4.26 6.56 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.588 -0.445 . . . . 1.0 111.214 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.88 10.1 81.58 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.348 -0.453 . . . . 1.0 113.677 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -100.33 99.38 10.02 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.998 -1.112 . . . . 1.0 107.998 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -82.78 77.23 9.56 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 121.169 0.509 . . . . 1.0 110.186 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.54 145.5 54.17 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 113.077 0.769 . . . . 1.0 113.077 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.8 p -78.17 164.4 24.99 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 107.589 -1.263 . . . . 1.0 107.589 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.515 ' O ' ' CG2' ' A' ' 121' ' ' VAL . 95.2 m-20 -53.75 -44.12 69.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.281 -0.968 . . . . 1.0 111.387 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.52 -38.23 90.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.983 0.421 . . . . 1.0 111.513 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -64.86 -44.04 91.01 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.204 -0.453 . . . . 1.0 112.006 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 118' ' ' ASP . 2.2 m -62.49 -47.24 93.94 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 O-C-N 122.112 -0.368 . . . . 1.0 110.018 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.11 -40.4 76.98 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.421 0.629 . . . . 1.0 112.198 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.726 ' HG3' ' HG2' ' B' ' 202' ' ' ARG . 47.5 tp10 -65.86 -42.09 90.84 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 119.784 -0.766 . . . . 1.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.623 ' CA ' ' HB2' ' B' ' 202' ' ' ARG 0.274 71.7 mtp -61.69 -42.7 99.29 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 119.016 -1.074 . . . . 1.0 111.298 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 11.5 mm -67.85 -48.21 76.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 C-N-CA 119.665 -0.814 . . . . 1.0 110.815 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -58.0 -42.8 85.96 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.854 0.835 . . . . 1.0 110.686 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -70.46 -31.28 68.37 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 118.073 -1.451 . . . . 1.0 114.348 -177.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.08 -24.14 32.82 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 119.827 -0.749 . . . . 1.0 112.195 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -81.4 74.55 8.39 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.55 1.315 . . . . 1.0 114.55 -171.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.17 -40.05 80.11 Favored 'Isoleucine or valine' 0 C--O 1.264 1.818 0 N-CA-C 113.74 1.015 . . . . 1.0 113.74 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.251 4.3 p30 -84.34 -7.2 59.39 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 116.733 2.123 . . . . 1.0 116.733 -176.671 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.56 14.12 82.46 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 118.71 2.244 . . . . 1.0 118.71 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -84.37 1.13 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.881 1.067 . . . . 1.0 113.881 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.48 3.65 83.99 Favored Glycine 0 CA--C 1.506 -0.47 0 N-CA-C 115.641 1.016 . . . . 1.0 115.641 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -141.44 173.18 11.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.441 0.639 . . . . 1.0 109.672 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.454 ' O ' ' CG2' ' A' ' 136' ' ' VAL . 1.6 m -114.59 115.09 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.126 0 C-N-CA 120.079 -0.649 . . . . 1.0 110.499 -173.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.5 p30 -87.93 178.68 6.62 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.772 -0.771 . . . . 1.0 110.668 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 60.5 t80 -62.35 -45.32 93.73 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.869 1.063 . . . . 1.0 113.869 -176.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.521 ' O ' HG21 ' A' ' 142' ' ' VAL . 77.0 tt0 -61.05 -40.35 93.29 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.141 -0.623 . . . . 1.0 111.098 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.98 -41.55 95.33 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.133 0.492 . . . . 1.0 110.189 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.89 -45.81 93.1 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.648 0.737 . . . . 1.0 111.322 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 139' ' ' GLU . 3.5 m -60.59 -45.58 97.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.426 -0.51 . . . . 1.0 109.962 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' THR . . . . . 0.511 ' N ' HG23 ' A' ' 142' ' ' VAL . 68.8 m -61.12 -40.67 94.65 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.21 -0.596 . . . . 1.0 111.418 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.7 tpp -62.65 -37.14 85.21 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.047 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 1.074 ' SD ' ' HA ' ' B' ' 205' ' ' LYS . 22.9 mmt -94.66 -35.29 12.24 Favored 'General case' 0 CA--C 1.437 -3.378 0 N-CA-C 112.912 0.708 . . . . 1.0 112.912 -175.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 142' ' ' VAL . 17.7 m -45.01 -48.73 11.56 Favored 'General case' 0 N--CA 1.491 1.604 1 O-C-N 129.847 4.467 . . . . 1.0 109.261 -176.62 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 59.61 169.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.0 pttt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.981 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.009 -0.737 . . . . 1.0 109.009 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 202' ' ' ARG . . . . . 0.726 ' HG2' ' HG3' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -110.19 43.85 1.31 Allowed 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 178.349 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 203' ' ' ARG . . . . . 0.518 ' C ' ' H ' ' B' ' 205' ' ' LYS . 82.0 mtt85 -81.67 102.41 10.68 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.823 -1.151 . . . . 1.0 111.71 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 204' ' ' TRP . . . . . 0.84 ' O ' ' HE2' ' A' ' 145' ' ' MET . 0.5 OUTLIER -67.18 -1.03 3.85 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 106.988 -1.486 . . . . 1.0 106.988 176.839 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 205' ' ' LYS . . . . . 1.074 ' HA ' ' SD ' ' A' ' 145' ' ' MET . 10.5 mttm -65.51 -69.08 0.32 Allowed 'General case' 0 C--O 1.201 -1.452 0 CA-C-N 114.619 -1.173 . . . . 1.0 111.899 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 206' ' ' LYS . . . . . 0.484 ' O ' ' HB1' ' B' ' 210' ' ' ALA . 0.0 OUTLIER -45.81 -35.84 4.72 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 117.994 -1.482 . . . . 1.0 109.848 -178.71 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 207' ' ' ASN . . . . . 0.555 ' HA ' ' CD1' ' A' ' 18' ' ' LEU . 4.5 t-20 -71.64 -48.01 50.67 Favored 'General case' 0 C--N 1.291 -1.964 0 C-N-CA 119.471 -0.891 . . . . 1.0 109.518 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 208' ' ' PHE . . . . . 0.881 ' CB ' ' CE ' ' A' ' 145' ' ' MET . 2.1 t80 -68.04 -56.62 8.22 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.904 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 209' ' ' ILE . . . . . 0.597 ' N ' ' CD2' ' B' ' 208' ' ' PHE . 14.4 mt -47.75 -54.45 3.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.247 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 210' ' ' ALA . . . . . 1.088 ' CB ' ' HB3' ' A' ' 18' ' ' LEU . . . -47.99 -58.47 4.39 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 118.865 -1.134 . . . . 1.0 109.433 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 211' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' B' ' 208' ' ' PHE . 17.2 m -57.35 -30.41 35.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 C-N-CA 118.892 -1.123 . . . . 1.0 109.149 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 212' ' ' SER . . . . . 0.605 ' O ' ' CG ' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -62.63 -39.71 94.68 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.17 -1.012 . . . . 1.0 109.596 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 213' ' ' ALA . . . . . 0.42 ' HB3' ' CE2' ' A' ' 19' ' ' PHE . . . -59.14 -57.66 12.05 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 118.984 -1.086 . . . . 1.0 108.941 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 214' ' ' ALA . . . . . 0.487 ' HB1' ' CZ ' ' A' ' 19' ' ' PHE . . . -62.7 -49.08 76.49 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 118.896 -1.122 . . . . 1.0 110.647 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 215' ' ' ASN . . . . . 0.66 ' ND2' ' OE1' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -53.29 -38.91 63.54 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.383 -0.927 . . . . 1.0 109.837 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 216' ' ' ARG . . . . . 0.758 ' HB2' ' HG3' ' A' ' 84' ' ' GLU . 18.0 tpp180 -67.5 -34.55 77.36 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.3 -0.96 . . . . 1.0 110.065 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 217' ' ' PHE . . . . . 0.469 ' CE1' ' HB3' ' A' ' 54' ' ' GLU . 0.1 OUTLIER -73.27 -14.66 61.36 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 118.649 -1.22 . . . . 1.0 110.851 -179.275 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -86.91 -34.0 19.54 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 118.923 -1.111 . . . . 1.0 109.175 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 219' ' ' LYS . . . . . . . . . . . . . 49.4 mmtt -86.59 -24.08 25.53 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.627 -0.829 . . . . 1.0 111.169 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 220' ' ' ILE . . . . . 0.484 ' O ' ' N ' ' B' ' 222' ' ' SER . 13.2 mt -48.01 -31.62 2.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 C-N-CA 118.944 -1.102 . . . . 1.0 108.686 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 221' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 223' ' ' SER . 83.4 p -54.72 91.37 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.227 -0.989 . . . . 1.0 108.898 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 222' ' ' SER . . . . . 0.484 ' N ' ' O ' ' B' ' 220' ' ' ILE . 39.0 m -55.37 88.6 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.819 -0.753 . . . . 1.0 111.707 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 223' ' ' SER . . . . . 0.52 ' C ' ' H ' ' B' ' 225' ' ' ALA . 3.0 m 25.31 102.93 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.628 0 O-C-N 124.075 0.859 . . . . 1.0 112.803 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 224' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 225' ' ' ALA . . . -77.56 27.47 1.86 Allowed Glycine 0 N--CA 1.49 2.28 0 C-N-CA 119.104 -1.522 . . . . 1.0 109.543 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 225' ' ' ALA . . . . . 0.52 ' H ' ' C ' ' B' ' 223' ' ' SER . . . -35.63 -38.6 0.12 Allowed 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 120.556 -0.457 . . . . 1.0 111.251 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 226' ' ' LEU . . . . . . . . . . . . . 9.7 mp . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 118.23 -0.89 . . . . 1.0 109.766 179.568 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.809 0.337 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -119.95 133.1 55.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.071 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -68.95 140.33 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.03 140.02 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.0 p -90.68 158.79 16.72 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.85 -27.86 68.55 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.495 -0.482 . . . . 1.0 111.576 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -70.81 -39.65 72.95 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.308 0.575 . . . . 1.0 109.558 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.78 -41.52 87.52 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.931 -0.708 . . . . 1.0 110.525 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.93 -41.58 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.594 0.711 . . . . 1.0 110.508 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.56 98.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.589 . . . . 1.0 111.426 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.66 -42.65 99.73 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.335 0.588 . . . . 1.0 109.469 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.422 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 22.9 m-85 -72.56 -29.61 63.7 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.483 -177.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.27 -41.32 96.97 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.091 -1.077 . . . . 1.0 108.091 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' B' ' 206' ' ' LYS . 5.7 tt0 -65.81 -40.34 91.75 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.743 -0.783 . . . . 1.0 110.57 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.758 ' HB2' ' CG2' ' B' ' 209' ' ' ILE . . . -61.56 -43.56 98.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 120.733 -0.387 . . . . 1.0 111.74 175.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.9 -39.14 77.19 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 120.999 0.428 . . . . 1.0 110.567 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 t -59.69 -32.77 70.8 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.766 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 1.233 ' HB3' ' CB ' ' B' ' 210' ' ' ALA . 0.6 OUTLIER -64.74 -35.66 81.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.565 -0.454 . . . . 1.0 112.216 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.932 ' HE2' ' HB3' ' B' ' 213' ' ' ALA . 19.6 m-85 -78.58 -38.52 39.92 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-O 121.317 0.58 . . . . 1.0 112.034 176.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -88.36 69.61 9.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.226 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -63.84 -28.3 69.76 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 114.026 1.121 . . . . 1.0 114.026 -173.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -90.79 -0.42 57.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.183 -1.007 . . . . 1.0 112.667 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.88 24.56 64.79 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 115.789 1.076 . . . . 1.0 115.789 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -88.31 7.04 34.2 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.249 0.833 . . . . 1.0 113.249 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.37 7.64 88.08 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 115.153 0.821 . . . . 1.0 115.153 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -137.55 151.92 48.9 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 118.866 -1.134 . . . . 1.0 108.492 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.435 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 58.3 mt -105.45 121.41 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 108.555 -0.905 . . . . 1.0 108.555 173.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.5 p -97.32 174.04 6.9 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.845 0.355 . . . . 1.0 111.229 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -63.55 -34.33 77.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 118.781 -1.167 . . . . 1.0 109.585 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.63 -46.21 89.31 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.784 -0.821 . . . . 1.0 108.784 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -66.05 -42.0 90.12 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.388 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 tp -66.03 -41.7 90.59 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.428 0.632 . . . . 1.0 109.722 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.34 -37.91 95.59 Favored Glycine 0 C--O 1.221 -0.699 0 C-N-CA 120.424 -0.893 . . . . 1.0 111.73 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.3 m -61.78 -45.44 93.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 46.2 t -67.34 -43.4 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 119.3 -0.96 . . . . 1.0 111.195 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 76.5 mtp -61.66 -45.56 93.51 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 120.233 -0.587 . . . . 1.0 112.158 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -63.9 -34.59 78.3 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.331 -0.948 . . . . 1.0 110.107 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 p -66.05 -19.21 65.78 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.436 -0.505 . . . . 1.0 111.358 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.783 HD22 HG11 ' A' ' 91' ' ' VAL . 4.0 mt -100.21 17.13 22.06 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.402 0.519 . . . . 1.0 112.402 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.22 2.66 87.76 Favored Glycine 0 C--O 1.246 0.845 0 N-CA-C 118.084 1.994 . . . . 1.0 118.084 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -85.04 163.07 19.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.198 0.523 . . . . 1.0 110.602 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -133.5 59.37 40.04 Favored Pre-proline 0 CA--C 1.506 -0.731 0 C-N-CA 120.334 -0.546 . . . . 1.0 112.078 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -68.63 154.98 70.41 Favored 'Trans proline' 0 C--N 1.323 -0.806 0 O-C-N 122.317 0.64 . . . . 1.0 113.738 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -94.01 162.69 13.79 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.218 -1.401 . . . . 1.0 107.218 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -58.27 -37.09 74.29 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.386 -0.526 . . . . 1.0 111.653 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.51 92.83 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -60.49 -42.95 97.36 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 117.576 -1.649 . . . . 1.0 111.375 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.63 -39.75 94.84 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 117.895 -1.522 . . . . 1.0 110.548 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.43 -39.5 92.15 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 118.963 -1.095 . . . . 1.0 111.422 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -62.84 -41.16 99.23 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.516 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.858 ' HE2' ' HB3' ' B' ' 217' ' ' PHE . 96.0 mtp -60.71 -48.04 83.58 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.887 0.851 . . . . 1.0 110.796 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.92 -45.44 98.86 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 119.85 -0.74 . . . . 1.0 111.112 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -52.32 -38.63 59.05 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-O 121.267 0.556 . . . . 1.0 112.125 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' B' ' 217' ' ' PHE . 3.2 tp10 -60.24 -34.85 74.27 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.141 0.793 . . . . 1.0 113.141 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.436 ' O ' HG22 ' A' ' 55' ' ' VAL . 7.8 p -105.7 -3.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 113.156 0.798 . . . . 1.0 113.156 -176.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -79.66 80.06 6.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 115.312 1.597 . . . . 1.0 115.312 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.34 68.37 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 114.932 1.456 . . . . 1.0 114.932 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -100.89 6.0 43.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 115.442 1.645 . . . . 1.0 115.442 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.21 21.41 66.14 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 116.557 1.383 . . . . 1.0 116.557 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -89.42 3.46 52.21 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 114.902 1.445 . . . . 1.0 114.902 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.38 -2.5 87.46 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 115.766 1.066 . . . . 1.0 115.766 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.5 p -135.13 167.72 20.45 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.046 0.923 . . . . 1.0 111.519 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.435 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 72.4 mt -106.69 122.73 61.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.904 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -96.17 174.23 7.01 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.669 -0.813 . . . . 1.0 111.751 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.9 t80 -61.92 -44.78 91.22 Favored Pre-proline 0 C--N 1.321 -0.636 0 C-N-CA 117.813 -1.555 . . . . 1.0 112.391 -173.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 77.6 Cg_exo -54.35 -43.72 56.06 Favored 'Trans proline' 0 C--N 1.33 -0.409 0 CA-C-O 118.268 -0.805 . . . . 1.0 112.53 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -64.15 -37.38 87.25 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 118.896 0.771 . . . . 1.0 110.727 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -64.93 -41.29 95.67 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 69' ' ' LEU . 36.6 mt -62.55 -43.14 99.56 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.48 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -60.16 -39.63 87.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.655 0.74 . . . . 1.0 110.102 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -65.84 -40.4 91.7 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.264 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.422 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 80.3 mmm -70.5 -33.66 71.46 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 119.196 -1.002 . . . . 1.0 111.962 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.06 -42.42 94.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.665 -0.865 . . . . 1.0 108.665 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -59.97 -50.2 74.7 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.649 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HD2' ' CD ' ' A' ' 84' ' ' GLU . 25.6 ttpp -55.05 -44.82 75.06 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.179 0.436 . . . . 1.0 112.179 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -40.0 69.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -65.57 -51.02 62.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.402 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -71.22 113.66 8.49 Favored 'General case' 0 CA--C 1.522 -0.12 0 C-N-CA 120.556 -0.457 . . . . 0.0 109.912 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.868 HG22 ' OD1' ' A' ' 80' ' ' ASP . 52.8 m 59.96 -89.12 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.868 ' OD1' HG22 ' A' ' 79' ' ' THR . 28.4 p-10 170.1 37.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.49 0.316 . . . . 0.0 111.151 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER 51.74 -145.66 0.52 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.551 -179.216 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.726 ' HA ' HD12 ' A' ' 85' ' ' ILE . 11.5 tm-20 112.85 -46.25 0.0 OUTLIER 'General case' 0 C--N 1.37 1.484 0 C-N-CA 124.912 1.285 . . . . 1.0 110.981 176.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' HG2' ' NH2' ' A' ' 86' ' ' ARG . 51.8 mt-10 -63.9 -37.58 87.91 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 120.437 -0.505 . . . . 1.0 111.471 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.813 ' HG3' ' HB2' ' B' ' 216' ' ' ARG 0.26 3.9 tt0 -49.47 -50.49 41.01 Favored 'General case' 0 CA--C 1.571 1.768 0 CA-C-O 124.701 2.191 . . . . 1.0 110.99 175.516 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.939 HG23 ' CZ ' ' B' ' 208' ' ' PHE . 0.5 OUTLIER -72.22 -38.59 62.68 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 112.701 -2.045 . . . . 1.0 111.253 -177.335 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.499 ' HE ' ' CD ' ' A' ' 82' ' ' GLU . 39.2 mtm105 -62.17 -45.66 92.4 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.989 -0.685 . . . . 1.0 112.156 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.668 ' HB2' ' OD1' ' B' ' 215' ' ' ASN . 80.7 mt-10 -65.42 -35.16 80.09 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.555 -1.258 . . . . 1.0 110.483 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -63.75 -44.87 92.21 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 119.76 -0.776 . . . . 1.0 111.31 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.62 -45.0 77.62 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.673 -0.811 . . . . 1.0 109.965 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -61.57 -30.87 70.94 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.87 1.063 . . . . 1.0 113.87 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.783 HG11 HD22 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -61.43 -47.56 92.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 CA-C-O 121.157 0.504 . . . . 1.0 111.007 175.097 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 108' ' ' VAL . 63.0 m-85 -69.76 -40.59 76.01 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.355 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -80.26 77.44 7.0 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.416 0.627 . . . . 1.0 110.107 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.498 ' HE2' ' CG1' ' A' ' 108' ' ' VAL . 72.8 mmtt -60.81 -38.57 85.86 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 114.209 1.189 . . . . 1.0 114.209 -170.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -88.88 -3.04 58.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.032 -1.067 . . . . 1.0 113.314 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.95 22.58 74.07 Favored Glycine 0 C--N 1.335 0.474 0 N-CA-C 117.617 1.807 . . . . 1.0 117.617 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -85.9 1.11 51.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 115.536 1.68 . . . . 1.0 115.536 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.74 -2.03 64.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.038 -1.077 . . . . 1.0 115.643 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -134.85 139.88 45.38 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.874 HD12 ' CG2' ' A' ' 136' ' ' VAL . 32.8 mt -95.14 117.51 39.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 106.557 -1.646 . . . . 1.0 106.557 171.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.8 p -84.88 165.35 17.76 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.361 0.6 . . . . 1.0 111.339 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.66 80.96 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 120.21 -0.596 . . . . 1.0 110.02 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.36 98.18 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.635 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -64.42 -41.41 96.62 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.02 -0.672 . . . . 1.0 110.752 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.962 HD22 ' CZ2' ' B' ' 204' ' ' TRP . 26.5 tp -63.62 -45.39 90.52 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.456 -0.942 . . . . 1.0 108.456 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -64.77 -39.26 93.32 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.162 -1.015 . . . . 1.0 110.35 -176.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -60.18 -47.13 87.23 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.355 0.409 . . . . 1.0 110.929 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 92' ' ' PHE . 15.6 m -61.68 -50.42 80.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 O-C-N 123.416 0.447 . . . . 1.0 111.062 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 105' ' ' LEU . 85.1 mmm -60.43 -43.52 96.72 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.164 -1.014 . . . . 1.0 110.939 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.3 m -61.32 -41.46 97.05 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.135 0.493 . . . . 1.0 111.116 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -62.05 -38.69 89.67 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.872 -0.731 . . . . 1.0 109.943 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.7 4.26 6.56 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.588 -0.445 . . . . 1.0 111.214 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.88 10.1 81.58 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.348 -0.453 . . . . 1.0 113.677 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -100.33 99.38 10.02 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.998 -1.112 . . . . 1.0 107.998 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -82.78 77.23 9.56 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 121.169 0.509 . . . . 1.0 110.186 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.54 145.5 54.17 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 113.077 0.769 . . . . 1.0 113.077 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.8 p -78.17 164.4 24.99 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 107.589 -1.263 . . . . 1.0 107.589 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.515 ' O ' ' CG2' ' A' ' 121' ' ' VAL . 95.2 m-20 -53.75 -44.12 69.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.281 -0.968 . . . . 1.0 111.387 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.52 -38.23 90.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.983 0.421 . . . . 1.0 111.513 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -64.86 -44.04 91.01 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.204 -0.453 . . . . 1.0 112.006 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 118' ' ' ASP . 2.2 m -62.49 -47.24 93.94 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 O-C-N 122.112 -0.368 . . . . 1.0 110.018 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.11 -40.4 76.98 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.421 0.629 . . . . 1.0 112.198 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.842 ' HG3' ' HG2' ' B' ' 202' ' ' ARG . 47.5 tp10 -65.86 -42.09 90.84 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 119.784 -0.766 . . . . 1.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.906 ' SD ' HD21 ' A' ' 105' ' ' LEU 0.274 71.7 mtp -61.69 -42.7 99.29 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 119.016 -1.074 . . . . 1.0 111.298 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.536 HD13 ' CZ2' ' B' ' 204' ' ' TRP . 11.5 mm -67.85 -48.21 76.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 C-N-CA 119.665 -0.814 . . . . 1.0 110.815 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -58.0 -42.8 85.96 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.854 0.835 . . . . 1.0 110.686 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.467 ' HB2' ' HD3' ' B' ' 202' ' ' ARG . 73.9 mm-40 -70.46 -31.28 68.37 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 118.073 -1.451 . . . . 1.0 114.348 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.08 -24.14 32.82 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 119.827 -0.749 . . . . 1.0 112.195 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -81.4 74.55 8.39 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.55 1.315 . . . . 1.0 114.55 -171.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.17 -40.05 80.11 Favored 'Isoleucine or valine' 0 C--O 1.264 1.818 0 N-CA-C 113.74 1.015 . . . . 1.0 113.74 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.251 4.3 p30 -84.34 -7.2 59.39 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 116.733 2.123 . . . . 1.0 116.733 -176.671 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.56 14.12 82.46 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 118.71 2.244 . . . . 1.0 118.71 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -84.37 1.13 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.881 1.067 . . . . 1.0 113.881 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.48 3.65 83.99 Favored Glycine 0 CA--C 1.506 -0.47 0 N-CA-C 115.641 1.016 . . . . 1.0 115.641 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -141.44 173.18 11.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.441 0.639 . . . . 1.0 109.672 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.874 ' CG2' HD12 ' A' ' 100' ' ' ILE . 1.6 m -114.59 115.09 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.126 0 C-N-CA 120.079 -0.649 . . . . 1.0 110.499 -173.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.5 p30 -87.93 178.68 6.62 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.772 -0.771 . . . . 1.0 110.668 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.862 ' O ' HG13 ' A' ' 142' ' ' VAL . 60.5 t80 -62.35 -45.32 93.73 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.869 1.063 . . . . 1.0 113.869 -176.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.774 ' O ' HG22 ' A' ' 142' ' ' VAL . 77.0 tt0 -61.05 -40.35 93.29 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.141 -0.623 . . . . 1.0 111.098 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.98 -41.55 95.33 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.133 0.492 . . . . 1.0 110.189 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.89 -45.81 93.1 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.648 0.737 . . . . 1.0 111.322 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.862 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.5 m -60.59 -45.58 97.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.426 -0.51 . . . . 1.0 109.962 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 68.8 m -61.12 -40.67 94.65 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.21 -0.596 . . . . 1.0 111.418 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.7 tpp -62.65 -37.14 85.21 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.047 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 1.128 ' SD ' ' HA ' ' B' ' 205' ' ' LYS . 22.9 mmt -94.66 -35.29 12.24 Favored 'General case' 0 CA--C 1.437 -3.378 0 N-CA-C 112.912 0.708 . . . . 1.0 112.912 -175.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 142' ' ' VAL . 17.7 m -45.01 -48.73 11.56 Favored 'General case' 0 N--CA 1.491 1.604 1 O-C-N 129.847 4.467 . . . . 1.0 109.261 -176.62 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 59.61 169.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.0 pttt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.981 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.009 -0.737 . . . . 1.0 109.009 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 202' ' ' ARG . . . . . 0.842 ' HG2' ' HG3' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -110.19 43.85 1.31 Allowed 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 178.349 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 203' ' ' ARG . . . . . 0.528 ' C ' ' H ' ' B' ' 205' ' ' LYS . 82.0 mtt85 -81.67 102.41 10.68 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.823 -1.151 . . . . 1.0 111.71 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 204' ' ' TRP . . . . . 0.962 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -67.18 -1.03 3.85 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 106.988 -1.486 . . . . 1.0 106.988 176.839 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 205' ' ' LYS . . . . . 1.128 ' HA ' ' SD ' ' A' ' 145' ' ' MET . 10.5 mttm -65.51 -69.08 0.32 Allowed 'General case' 0 C--O 1.201 -1.452 0 CA-C-N 114.619 -1.173 . . . . 1.0 111.899 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 206' ' ' LYS . . . . . 0.567 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -45.81 -35.84 4.72 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 117.994 -1.482 . . . . 1.0 109.848 -178.71 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 207' ' ' ASN . . . . . 0.63 ' HA ' HD13 ' A' ' 18' ' ' LEU . 4.5 t-20 -71.64 -48.01 50.67 Favored 'General case' 0 C--N 1.291 -1.964 0 C-N-CA 119.471 -0.891 . . . . 1.0 109.518 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 208' ' ' PHE . . . . . 0.939 ' CZ ' HG23 ' A' ' 85' ' ' ILE . 2.1 t80 -68.04 -56.62 8.22 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.904 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 209' ' ' ILE . . . . . 0.758 ' CG2' ' HB2' ' A' ' 15' ' ' ALA . 14.4 mt -47.75 -54.45 3.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.247 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 210' ' ' ALA . . . . . 1.233 ' CB ' ' HB3' ' A' ' 18' ' ' LEU . . . -47.99 -58.47 4.39 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 118.865 -1.134 . . . . 1.0 109.433 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 211' ' ' VAL . . . . . 0.885 HG22 ' O ' ' B' ' 208' ' ' PHE . 17.2 m -57.35 -30.41 35.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 C-N-CA 118.892 -1.123 . . . . 1.0 109.149 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 212' ' ' SER . . . . . 0.645 ' CA ' ' HG2' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -62.63 -39.71 94.68 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.17 -1.012 . . . . 1.0 109.596 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 213' ' ' ALA . . . . . 0.932 ' HB3' ' HE2' ' A' ' 19' ' ' PHE . . . -59.14 -57.66 12.05 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 118.984 -1.086 . . . . 1.0 108.941 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 214' ' ' ALA . . . . . 0.714 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . . . -62.7 -49.08 76.49 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 118.896 -1.122 . . . . 1.0 110.647 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 215' ' ' ASN . . . . . 0.668 ' OD1' ' HB2' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -53.29 -38.91 63.54 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.383 -0.927 . . . . 1.0 109.837 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 216' ' ' ARG . . . . . 0.813 ' HB2' ' HG3' ' A' ' 84' ' ' GLU . 18.0 tpp180 -67.5 -34.55 77.36 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.3 -0.96 . . . . 1.0 110.065 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 217' ' ' PHE . . . . . 0.858 ' HB3' ' HE2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -73.27 -14.66 61.36 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 118.649 -1.22 . . . . 1.0 110.851 -179.275 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -86.91 -34.0 19.54 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 118.923 -1.111 . . . . 1.0 109.175 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 219' ' ' LYS . . . . . . . . . . . . . 49.4 mmtt -86.59 -24.08 25.53 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.627 -0.829 . . . . 1.0 111.169 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 220' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' B' ' 217' ' ' PHE . 13.2 mt -48.01 -31.62 2.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 C-N-CA 118.944 -1.102 . . . . 1.0 108.686 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 221' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 223' ' ' SER . 83.4 p -54.72 91.37 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.227 -0.989 . . . . 1.0 108.898 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 222' ' ' SER . . . . . 0.484 ' N ' ' O ' ' B' ' 220' ' ' ILE . 39.0 m -55.37 88.6 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.819 -0.753 . . . . 1.0 111.707 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 223' ' ' SER . . . . . 0.519 ' C ' ' H ' ' B' ' 225' ' ' ALA . 3.0 m 25.31 102.93 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.628 0 O-C-N 124.075 0.859 . . . . 1.0 112.803 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 224' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 225' ' ' ALA . . . -77.56 27.47 1.86 Allowed Glycine 0 N--CA 1.49 2.28 0 C-N-CA 119.104 -1.522 . . . . 1.0 109.543 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 225' ' ' ALA . . . . . 0.554 ' C ' HD12 ' B' ' 226' ' ' LEU . . . -35.63 -38.6 0.12 Allowed 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 120.556 -0.457 . . . . 1.0 111.251 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 226' ' ' LEU . . . . . 0.554 HD12 ' C ' ' B' ' 225' ' ' ALA . 9.7 mp . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 118.23 -0.89 . . . . 1.0 109.766 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.809 0.337 . . . . 0.0 111.09 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -119.95 133.1 55.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.071 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 90.6 mm-40 -68.95 140.33 55.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.03 140.02 57.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.903 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.0 p -90.68 158.79 16.72 Favored 'General case' 0 N--CA 1.476 0.87 0 N-CA-C 109.389 -0.597 . . . . 1.0 109.389 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 21.9 pt-20 -65.85 -27.86 68.55 Favored 'General case' 0 C--O 1.236 0.365 0 C-N-CA 120.495 -0.482 . . . . 1.0 111.576 -178.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -70.81 -39.65 72.95 Favored 'General case' 0 C--O 1.241 0.636 0 CA-C-O 121.308 0.575 . . . . 1.0 109.558 177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -66.78 -41.52 87.52 Favored 'General case' 0 C--O 1.238 0.466 0 C-N-CA 119.931 -0.708 . . . . 1.0 110.525 177.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 97.6 mt -60.93 -41.58 89.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.594 0.711 . . . . 1.0 110.508 -179.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.73 -43.56 98.5 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.903 -0.589 . . . . 1.0 111.426 177.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -62.66 -42.65 99.73 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-O 121.335 0.588 . . . . 1.0 109.469 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.422 ' CE1' ' HE3' ' A' ' 72' ' ' MET . 22.9 m-85 -72.56 -29.61 63.7 Favored 'General case' 0 C--O 1.246 0.91 0 C-N-CA 119.739 -0.784 . . . . 1.0 111.483 -177.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.27 -41.32 96.97 Favored 'General case' 0 CA--C 1.516 -0.352 0 N-CA-C 108.091 -1.077 . . . . 1.0 108.091 176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.567 ' HG2' ' HB3' ' B' ' 206' ' ' LYS . 5.7 tt0 -65.81 -40.34 91.75 Favored 'General case' 0 C--O 1.237 0.424 0 C-N-CA 119.743 -0.783 . . . . 1.0 110.57 178.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.758 ' HB2' ' CG2' ' B' ' 209' ' ' ILE . . . -61.56 -43.56 98.63 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 120.733 -0.387 . . . . 1.0 111.74 175.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.9 -39.14 77.19 Favored 'General case' 0 C--O 1.244 0.775 0 CA-C-O 120.999 0.428 . . . . 1.0 110.567 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.2 t -59.69 -32.77 70.8 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 115.559 -0.746 . . . . 1.0 111.766 -177.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 1.233 ' HB3' ' CB ' ' B' ' 210' ' ' ALA . 0.6 OUTLIER -64.74 -35.66 81.8 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.565 -0.454 . . . . 1.0 112.216 178.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.932 ' HE2' ' HB3' ' B' ' 213' ' ' ALA . 19.6 m-85 -78.58 -38.52 39.92 Favored 'General case' 0 C--O 1.249 1.06 0 CA-C-O 121.317 0.58 . . . . 1.0 112.034 176.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 44.2 t0 -88.36 69.61 9.05 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.791 -0.641 . . . . 1.0 110.226 -175.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 57.9 mttp -63.84 -28.3 69.76 Favored 'General case' 0 CA--C 1.513 -0.469 0 N-CA-C 114.026 1.121 . . . . 1.0 114.026 -173.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 56.4 p30 -90.79 -0.42 57.71 Favored 'General case' 0 CA--C 1.535 0.396 0 C-N-CA 119.183 -1.007 . . . . 1.0 112.667 179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.88 24.56 64.79 Favored Glycine 0 N--CA 1.447 -0.589 0 N-CA-C 115.789 1.076 . . . . 1.0 115.789 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -88.31 7.04 34.2 Favored 'General case' 0 N--CA 1.465 0.286 0 N-CA-C 113.249 0.833 . . . . 1.0 113.249 -178.732 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 81.37 7.64 88.08 Favored Glycine 0 N--CA 1.443 -0.834 0 N-CA-C 115.153 0.821 . . . . 1.0 115.153 174.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -137.55 151.92 48.9 Favored 'General case' 0 CA--C 1.499 -0.987 0 C-N-CA 118.866 -1.134 . . . . 1.0 108.492 178.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.435 ' HB ' ' HB ' ' A' ' 63' ' ' ILE . 58.3 mt -105.45 121.41 57.56 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 108.555 -0.905 . . . . 1.0 108.555 173.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.5 p -97.32 174.04 6.9 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 120.845 0.355 . . . . 1.0 111.229 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 40.0 p -63.55 -34.33 77.57 Favored 'General case' 0 CA--C 1.51 -0.573 0 C-N-CA 118.781 -1.167 . . . . 1.0 109.585 176.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -62.63 -46.21 89.31 Favored 'General case' 0 CA--C 1.505 -0.769 0 N-CA-C 108.784 -0.821 . . . . 1.0 108.784 -179.216 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -66.05 -42.0 90.12 Favored 'General case' 0 C--O 1.218 -0.56 0 CA-C-N 115.783 -0.644 . . . . 1.0 112.388 -179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 41.2 tp -66.03 -41.7 90.59 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-O 121.428 0.632 . . . . 1.0 109.722 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.34 -37.91 95.59 Favored Glycine 0 C--O 1.221 -0.699 0 C-N-CA 120.424 -0.893 . . . . 1.0 111.73 -179.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.3 m -61.78 -45.44 93.88 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 108.279 -1.008 . . . . 1.0 108.279 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.49 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 46.2 t -67.34 -43.4 87.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 119.3 -0.96 . . . . 1.0 111.195 -178.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 76.5 mtp -61.66 -45.56 93.51 Favored 'General case' 0 CA--C 1.505 -0.762 0 C-N-CA 120.233 -0.587 . . . . 1.0 112.158 -179.278 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 57.4 mtt85 -63.9 -34.59 78.3 Favored 'General case' 0 N--CA 1.45 -0.429 0 C-N-CA 119.331 -0.948 . . . . 1.0 110.107 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 2.3 p -66.05 -19.21 65.78 Favored 'General case' 0 C--O 1.235 0.297 0 C-N-CA 120.436 -0.505 . . . . 1.0 111.358 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.783 HD22 HG11 ' A' ' 91' ' ' VAL . 4.0 mt -100.21 17.13 22.06 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.402 0.519 . . . . 1.0 112.402 178.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.22 2.66 87.76 Favored Glycine 0 C--O 1.246 0.845 0 N-CA-C 118.084 1.994 . . . . 1.0 118.084 175.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.4 mm-40 -85.04 163.07 19.07 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-O 121.198 0.523 . . . . 1.0 110.602 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -133.5 59.37 40.04 Favored Pre-proline 0 CA--C 1.506 -0.731 0 C-N-CA 120.334 -0.546 . . . . 1.0 112.078 -178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 17.8 Cg_endo -68.63 154.98 70.41 Favored 'Trans proline' 0 C--N 1.323 -0.806 0 O-C-N 122.317 0.64 . . . . 1.0 113.738 -177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 40.6 p -94.01 162.69 13.79 Favored 'General case' 0 N--CA 1.445 -0.688 0 N-CA-C 107.218 -1.401 . . . . 1.0 107.218 173.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.0 tp10 -58.27 -37.09 74.29 Favored 'General case' 0 C--N 1.32 -0.679 0 C-N-CA 120.386 -0.526 . . . . 1.0 111.653 178.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.37 -45.51 92.83 Favored 'General case' 0 C--O 1.239 0.544 0 N-CA-C 109.663 -0.495 . . . . 1.0 109.663 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 59.6 tt0 -60.49 -42.95 97.36 Favored 'General case' 0 C--O 1.243 0.762 0 C-N-CA 117.576 -1.649 . . . . 1.0 111.375 176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 58.6 mt -62.63 -39.75 94.84 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 117.895 -1.522 . . . . 1.0 110.548 -177.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 66.4 tp60 -65.43 -39.5 92.15 Favored 'General case' 0 N--CA 1.445 -0.714 0 C-N-CA 118.963 -1.095 . . . . 1.0 111.422 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -62.84 -41.16 99.23 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 115.644 -0.707 . . . . 1.0 110.516 177.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.858 ' HE2' ' HB3' ' B' ' 217' ' ' PHE . 96.0 mtp -60.71 -48.04 83.58 Favored 'General case' 0 N--CA 1.488 1.44 0 CA-C-O 121.887 0.851 . . . . 1.0 110.796 179.067 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 48.9 mm -62.92 -45.44 98.86 Favored 'Isoleucine or valine' 0 C--O 1.244 0.801 0 C-N-CA 119.85 -0.74 . . . . 1.0 111.112 177.301 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 81.5 m-20 -52.32 -38.63 59.05 Favored 'General case' 0 C--N 1.339 0.15 0 CA-C-O 121.267 0.556 . . . . 1.0 112.125 -177.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.504 ' HB3' ' CE1' ' B' ' 217' ' ' PHE . 3.2 tp10 -60.24 -34.85 74.27 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 113.141 0.793 . . . . 1.0 113.141 -177.218 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.436 HG22 ' O ' ' A' ' 55' ' ' VAL . 7.8 p -105.7 -3.8 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 N-CA-C 113.156 0.798 . . . . 1.0 113.156 -176.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -79.66 80.06 6.08 Favored 'General case' 0 CA--C 1.537 0.474 0 N-CA-C 115.312 1.597 . . . . 1.0 115.312 -178.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -58.81 -31.34 68.37 Favored 'General case' 0 CA--C 1.51 -0.588 0 N-CA-C 114.932 1.456 . . . . 1.0 114.932 -173.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -100.89 6.0 43.52 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 115.442 1.645 . . . . 1.0 115.442 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 64.21 21.41 66.14 Favored Glycine 0 CA--C 1.522 0.505 0 N-CA-C 116.557 1.383 . . . . 1.0 116.557 175.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 38.0 p-10 -89.42 3.46 52.21 Favored 'General case' 0 N--CA 1.467 0.383 0 N-CA-C 114.902 1.445 . . . . 1.0 114.902 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.38 -2.5 87.46 Favored Glycine 0 N--CA 1.444 -0.776 0 N-CA-C 115.766 1.066 . . . . 1.0 115.766 174.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 82.5 p -135.13 167.72 20.45 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.046 0.923 . . . . 1.0 111.519 177.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.435 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 72.4 mt -106.69 122.73 61.02 Favored 'Isoleucine or valine' 0 C--O 1.235 0.291 0 C-N-CA 120.328 -0.549 . . . . 1.0 110.904 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 47.0 p30 -96.17 174.23 7.01 Favored 'General case' 0 C--N 1.328 -0.36 0 C-N-CA 119.669 -0.813 . . . . 1.0 111.751 176.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.411 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 19.9 t80 -61.92 -44.78 91.22 Favored Pre-proline 0 C--N 1.321 -0.636 0 C-N-CA 117.813 -1.555 . . . . 1.0 112.391 -173.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 77.6 Cg_exo -54.35 -43.72 56.06 Favored 'Trans proline' 0 C--N 1.33 -0.409 0 CA-C-O 118.268 -0.805 . . . . 1.0 112.53 174.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 89.5 mt-10 -64.15 -37.38 87.25 Favored 'General case' 0 C--O 1.217 -0.619 0 CA-C-N 118.896 0.771 . . . . 1.0 110.727 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 63.2 t80 -64.93 -41.29 95.67 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 108.999 -0.741 . . . . 1.0 108.999 -179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.43 HD23 ' HA ' ' A' ' 69' ' ' LEU . 36.6 mt -62.55 -43.14 99.56 Favored 'General case' 0 CA--C 1.52 -0.197 0 CA-C-N 116.014 -0.539 . . . . 1.0 111.48 178.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 52.5 m -60.16 -39.63 87.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.655 0.74 . . . . 1.0 110.102 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . . . . . . . . . 15.4 tmm? -65.84 -40.4 91.7 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.758 -0.656 . . . . 1.0 110.264 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.422 ' HE3' ' CE1' ' A' ' 12' ' ' PHE . 80.3 mmm -70.5 -33.66 71.46 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 119.196 -1.002 . . . . 1.0 111.962 -178.137 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.06 -42.42 94.23 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.665 -0.865 . . . . 1.0 108.665 178.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 5.9 tpm_? -59.97 -50.2 74.7 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 115.622 -0.717 . . . . 1.0 110.649 176.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.471 ' HD2' ' CD ' ' A' ' 84' ' ' GLU . 25.6 ttpp -55.05 -44.82 75.06 Favored 'General case' 0 CA--C 1.545 0.765 0 N-CA-C 112.179 0.436 . . . . 1.0 112.179 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -71.9 -40.0 69.16 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 178.177 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.2 tmtm? -65.57 -51.02 62.92 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 115.932 -0.576 . . . . 0.0 112.402 -178.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 27.8 p-10 -71.22 113.66 8.49 Favored 'General case' 0 CA--C 1.522 -0.12 0 C-N-CA 120.556 -0.457 . . . . 0.0 109.912 -179.636 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.868 HG22 ' OD1' ' A' ' 80' ' ' ASP . 52.8 m 59.96 -89.12 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 109.211 -0.663 . . . . 0.0 109.211 -178.141 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.868 ' OD1' HG22 ' A' ' 79' ' ' THR . 28.4 p-10 170.1 37.0 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.479 0 C-N-CA 122.49 0.316 . . . . 0.0 111.151 178.174 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.589 ' O ' ' CB ' ' A' ' 82' ' ' GLU . 0.9 OUTLIER 51.74 -145.66 0.52 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 117.52 -1.229 . . . . 0.0 108.551 -179.216 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.726 ' HA ' HD12 ' A' ' 85' ' ' ILE . 11.5 tm-20 112.85 -46.25 0.0 OUTLIER 'General case' 0 C--N 1.37 1.484 0 C-N-CA 124.912 1.285 . . . . 1.0 110.981 176.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.421 ' HG2' ' NH2' ' A' ' 86' ' ' ARG . 51.8 mt-10 -63.9 -37.58 87.91 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 120.437 -0.505 . . . . 1.0 111.471 177.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.813 ' HG3' ' HB2' ' B' ' 216' ' ' ARG 0.26 3.9 tt0 -49.47 -50.49 41.01 Favored 'General case' 0 CA--C 1.571 1.768 0 CA-C-O 124.701 2.191 . . . . 1.0 110.99 175.516 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.939 HG23 ' CZ ' ' B' ' 208' ' ' PHE . 0.5 OUTLIER -72.22 -38.59 62.68 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.279 0 CA-C-N 112.701 -2.045 . . . . 1.0 111.253 -177.335 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.499 ' HE ' ' CD ' ' A' ' 82' ' ' GLU . 39.2 mtm105 -62.17 -45.66 92.4 Favored 'General case' 0 C--O 1.236 0.38 0 C-N-CA 119.989 -0.685 . . . . 1.0 112.156 176.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.668 ' HB2' ' OD1' ' B' ' 215' ' ' ASN . 80.7 mt-10 -65.42 -35.16 80.09 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 118.555 -1.258 . . . . 1.0 110.483 179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.543 ' O ' HG22 ' A' ' 91' ' ' VAL . . . -63.75 -44.87 92.21 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 119.76 -0.776 . . . . 1.0 111.31 177.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -55.62 -45.0 77.62 Favored 'General case' 0 C--N 1.326 -0.443 0 C-N-CA 119.673 -0.811 . . . . 1.0 109.965 177.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -61.57 -30.87 70.94 Favored 'General case' 0 N--CA 1.465 0.313 0 N-CA-C 113.87 1.063 . . . . 1.0 113.87 -179.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.783 HG11 HD22 ' A' ' 39' ' ' LEU . 1.0 OUTLIER -61.43 -47.56 92.85 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 CA-C-O 121.157 0.504 . . . . 1.0 111.007 175.097 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.524 ' CD2' HG21 ' A' ' 108' ' ' VAL . 63.0 m-85 -69.76 -40.59 76.01 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-N 115.975 -0.557 . . . . 1.0 111.355 -177.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 45.5 t0 -80.26 77.44 7.0 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.416 0.627 . . . . 1.0 110.107 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.498 ' HE2' ' CG1' ' A' ' 108' ' ' VAL . 72.8 mmtt -60.81 -38.57 85.86 Favored 'General case' 0 C--O 1.239 0.517 0 N-CA-C 114.209 1.189 . . . . 1.0 114.209 -170.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 54.8 p30 -88.88 -3.04 58.86 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 119.032 -1.067 . . . . 1.0 113.314 -178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 67.95 22.58 74.07 Favored Glycine 0 C--N 1.335 0.474 0 N-CA-C 117.617 1.807 . . . . 1.0 117.617 177.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 18.2 p-10 -85.9 1.11 51.23 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 115.536 1.68 . . . . 1.0 115.536 -177.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 95.74 -2.03 64.13 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.038 -1.077 . . . . 1.0 115.643 179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 92.8 m-85 -134.85 139.88 45.38 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.228 -0.656 . . . . 1.0 109.228 -178.47 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.874 HD12 ' CG2' ' A' ' 136' ' ' VAL . 32.8 mt -95.14 117.51 39.17 Favored 'Isoleucine or valine' 0 C--O 1.22 -0.469 0 N-CA-C 106.557 -1.646 . . . . 1.0 106.557 171.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 92.8 p -84.88 165.35 17.76 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-O 121.361 0.6 . . . . 1.0 111.339 176.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -60.21 -37.66 80.96 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 120.21 -0.596 . . . . 1.0 110.02 177.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -63.27 -43.36 98.18 Favored 'General case' 0 CA--C 1.513 -0.474 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.635 178.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 78.9 mt-10 -64.42 -41.41 96.62 Favored 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.02 -0.672 . . . . 1.0 110.752 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.962 HD22 ' CZ2' ' B' ' 204' ' ' TRP . 26.5 tp -63.62 -45.39 90.52 Favored 'General case' 0 C--O 1.212 -0.873 0 N-CA-C 108.456 -0.942 . . . . 1.0 108.456 -179.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -64.77 -39.26 93.32 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 119.162 -1.015 . . . . 1.0 110.35 -176.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 84.7 t60 -60.18 -47.13 87.23 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 123.355 0.409 . . . . 1.0 110.929 179.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.524 HG21 ' CD2' ' A' ' 92' ' ' PHE . 15.6 m -61.68 -50.42 80.31 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.456 0 O-C-N 123.416 0.447 . . . . 1.0 111.062 177.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . 0.458 ' HG2' ' O ' ' A' ' 105' ' ' LEU . 85.1 mmm -60.43 -43.52 96.72 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 119.164 -1.014 . . . . 1.0 110.939 -179.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 45.3 m -61.32 -41.46 97.05 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-O 121.135 0.493 . . . . 1.0 111.116 179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 43.8 m-20 -62.05 -38.69 89.67 Favored 'General case' 0 C--N 1.32 -0.684 0 C-N-CA 119.872 -0.731 . . . . 1.0 109.943 176.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 84.5 mt -74.7 4.26 6.56 Favored 'General case' 0 C--O 1.235 0.339 0 C-N-CA 120.588 -0.445 . . . . 1.0 111.214 179.537 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 83.88 10.1 81.58 Favored Glycine 0 N--CA 1.449 -0.491 0 C-N-CA 121.348 -0.453 . . . . 1.0 113.677 176.192 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -100.33 99.38 10.02 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.998 -1.112 . . . . 1.0 107.998 177.111 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 93.3 mttt -82.78 77.23 9.56 Favored 'General case' 0 C--O 1.214 -0.805 0 CA-C-O 121.169 0.509 . . . . 1.0 110.186 -178.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.54 145.5 54.17 Favored 'General case' 0 C--O 1.238 0.483 0 N-CA-C 113.077 0.769 . . . . 1.0 113.077 -176.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 59.8 p -78.17 164.4 24.99 Favored 'General case' 0 C--O 1.254 1.312 0 N-CA-C 107.589 -1.263 . . . . 1.0 107.589 175.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.515 ' O ' ' CG2' ' A' ' 121' ' ' VAL . 95.2 m-20 -53.75 -44.12 69.7 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 119.281 -0.968 . . . . 1.0 111.387 177.086 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -63.52 -38.23 90.33 Favored 'General case' 0 C--O 1.235 0.298 0 CA-C-O 120.983 0.421 . . . . 1.0 111.513 -178.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -64.86 -44.04 91.01 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.204 -0.453 . . . . 1.0 112.006 179.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.515 ' CG2' ' O ' ' A' ' 118' ' ' ASP . 2.2 m -62.49 -47.24 93.94 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.567 0 O-C-N 122.112 -0.368 . . . . 1.0 110.018 178.549 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -57.11 -40.4 76.98 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.421 0.629 . . . . 1.0 112.198 179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.842 ' HG3' ' HG2' ' B' ' 202' ' ' ARG . 47.5 tp10 -65.86 -42.09 90.84 Favored 'General case' 0 N--CA 1.448 -0.546 0 C-N-CA 119.784 -0.766 . . . . 1.0 110.937 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.906 ' SD ' HD21 ' A' ' 105' ' ' LEU 0.274 71.7 mtp -61.69 -42.7 99.29 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 119.016 -1.074 . . . . 1.0 111.298 179.614 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.536 HD13 ' CZ2' ' B' ' 204' ' ' TRP . 11.5 mm -67.85 -48.21 76.33 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.005 0 C-N-CA 119.665 -0.814 . . . . 1.0 110.815 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 33.6 ttm180 -58.0 -42.8 85.96 Favored 'General case' 0 C--O 1.242 0.7 0 CA-C-O 121.854 0.835 . . . . 1.0 110.686 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.467 ' HB2' ' HD3' ' B' ' 202' ' ' ARG . 73.9 mm-40 -70.46 -31.28 68.37 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 118.073 -1.451 . . . . 1.0 114.348 -177.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -83.08 -24.14 32.82 Favored 'General case' 0 N--CA 1.449 -0.512 0 C-N-CA 119.827 -0.749 . . . . 1.0 112.195 178.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 38.2 t0 -81.4 74.55 8.39 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 114.55 1.315 . . . . 1.0 114.55 -171.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 93.5 mt -59.17 -40.05 80.11 Favored 'Isoleucine or valine' 0 C--O 1.264 1.818 0 N-CA-C 113.74 1.015 . . . . 1.0 113.74 -177.597 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . 0.251 4.3 p30 -84.34 -7.2 59.39 Favored 'General case' 0 N--CA 1.479 1.003 0 N-CA-C 116.733 2.123 . . . . 1.0 116.733 -176.671 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 78.56 14.12 82.46 Favored Glycine 0 N--CA 1.451 -0.315 0 N-CA-C 118.71 2.244 . . . . 1.0 118.71 175.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -84.37 1.13 46.61 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.881 1.067 . . . . 1.0 113.881 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.48 3.65 83.99 Favored Glycine 0 CA--C 1.506 -0.47 0 N-CA-C 115.641 1.016 . . . . 1.0 115.641 176.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -141.44 173.18 11.74 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.441 0.639 . . . . 1.0 109.672 178.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.874 ' CG2' HD12 ' A' ' 100' ' ' ILE . 1.6 m -114.59 115.09 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.126 0 C-N-CA 120.079 -0.649 . . . . 1.0 110.499 -173.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 44.5 p30 -87.93 178.68 6.62 Favored 'General case' 0 N--CA 1.446 -0.654 0 C-N-CA 119.772 -0.771 . . . . 1.0 110.668 177.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.862 ' O ' HG13 ' A' ' 142' ' ' VAL . 60.5 t80 -62.35 -45.32 93.73 Favored 'General case' 0 C--N 1.319 -0.744 0 N-CA-C 113.869 1.063 . . . . 1.0 113.869 -176.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.774 ' O ' HG22 ' A' ' 142' ' ' VAL . 77.0 tt0 -61.05 -40.35 93.29 Favored 'General case' 0 C--O 1.222 -0.363 0 C-N-CA 120.141 -0.623 . . . . 1.0 111.098 179.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 89.6 mt-10 -64.98 -41.55 95.33 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.133 0.492 . . . . 1.0 110.189 178.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.89 -45.81 93.1 Favored 'General case' 0 C--O 1.242 0.706 0 CA-C-O 121.648 0.737 . . . . 1.0 111.322 177.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.862 HG13 ' O ' ' A' ' 138' ' ' TYR . 3.5 m -60.59 -45.58 97.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 C-N-CA 120.426 -0.51 . . . . 1.0 109.962 179.825 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' THR . . . . . . . . . . . . . 68.8 m -61.12 -40.67 94.65 Favored 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.21 -0.596 . . . . 1.0 111.418 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 41.7 tpp -62.65 -37.14 85.21 Favored 'General case' 0 C--O 1.22 -0.468 0 CA-C-N 116.11 -0.495 . . . . 1.0 111.047 179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 1.128 ' SD ' ' HA ' ' B' ' 205' ' ' LYS . 22.9 mmt -94.66 -35.29 12.24 Favored 'General case' 0 CA--C 1.437 -3.378 0 N-CA-C 112.912 0.708 . . . . 1.0 112.912 -175.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 142' ' ' VAL . 17.7 m -45.01 -48.73 11.56 Favored 'General case' 0 N--CA 1.491 1.604 1 O-C-N 129.847 4.467 . . . . 1.0 109.261 -176.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . 59.61 169.99 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.163 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LYS . . . . . . . . . . . . . 63.0 pttt . . . . . 0 C--O 1.249 1.053 0 CA-C-O 118.19 -0.909 . . . . 0.0 110.981 -179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 201' ' ' LYS . . . . . . . . . . . . . 98.5 mttt . . . . . 0 N--CA 1.492 1.669 0 N-CA-C 109.009 -0.737 . . . . 1.0 109.009 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 202' ' ' ARG . . . . . 0.842 ' HG2' ' HG3' ' A' ' 123' ' ' GLU . 0.0 OUTLIER -110.19 43.85 1.31 Allowed 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 108.291 -1.003 . . . . 1.0 108.291 178.349 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 203' ' ' ARG . . . . . 0.528 ' C ' ' H ' ' B' ' 205' ' ' LYS . 82.0 mtt85 -81.67 102.41 10.68 Favored 'General case' 0 C--N 1.291 -1.958 0 C-N-CA 118.823 -1.151 . . . . 1.0 111.71 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 204' ' ' TRP . . . . . 0.962 ' CZ2' HD22 ' A' ' 105' ' ' LEU . 0.5 OUTLIER -67.18 -1.03 3.85 Favored 'General case' 0 C--N 1.304 -1.413 0 N-CA-C 106.988 -1.486 . . . . 1.0 106.988 176.839 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 205' ' ' LYS . . . . . 1.128 ' HA ' ' SD ' ' A' ' 145' ' ' MET . 10.5 mttm -65.51 -69.08 0.32 Allowed 'General case' 0 C--O 1.201 -1.452 0 CA-C-N 114.619 -1.173 . . . . 1.0 111.899 -179.058 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 206' ' ' LYS . . . . . 0.567 ' HB3' ' HG2' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -45.81 -35.84 4.72 Favored 'General case' 0 N--CA 1.5 2.035 0 C-N-CA 117.994 -1.482 . . . . 1.0 109.848 -178.71 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 207' ' ' ASN . . . . . 0.63 ' HA ' HD13 ' A' ' 18' ' ' LEU . 4.5 t-20 -71.64 -48.01 50.67 Favored 'General case' 0 C--N 1.291 -1.964 0 C-N-CA 119.471 -0.891 . . . . 1.0 109.518 179.544 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 208' ' ' PHE . . . . . 0.939 ' CZ ' HG23 ' A' ' 85' ' ' ILE . 2.1 t80 -68.04 -56.62 8.22 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-N 115.444 -0.798 . . . . 1.0 109.904 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 209' ' ' ILE . . . . . 0.758 ' CG2' ' HB2' ' A' ' 15' ' ' ALA . 14.4 mt -47.75 -54.45 3.51 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 CA-C-N 115.446 -0.797 . . . . 1.0 109.247 179.355 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 210' ' ' ALA . . . . . 1.233 ' CB ' ' HB3' ' A' ' 18' ' ' LEU . . . -47.99 -58.47 4.39 Favored 'General case' 0 C--N 1.295 -1.775 0 C-N-CA 118.865 -1.134 . . . . 1.0 109.433 -179.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 211' ' ' VAL . . . . . 0.885 HG22 ' O ' ' B' ' 208' ' ' PHE . 17.2 m -57.35 -30.41 35.55 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.5 0 C-N-CA 118.892 -1.123 . . . . 1.0 109.149 178.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 212' ' ' SER . . . . . 0.645 ' CA ' ' HG2' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -62.63 -39.71 94.68 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 119.17 -1.012 . . . . 1.0 109.596 179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 213' ' ' ALA . . . . . 0.932 ' HB3' ' HE2' ' A' ' 19' ' ' PHE . . . -59.14 -57.66 12.05 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 118.984 -1.086 . . . . 1.0 108.941 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 214' ' ' ALA . . . . . 0.714 ' HB2' ' CZ ' ' A' ' 19' ' ' PHE . . . -62.7 -49.08 76.49 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 118.896 -1.122 . . . . 1.0 110.647 -178.68 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 215' ' ' ASN . . . . . 0.668 ' OD1' ' HB2' ' A' ' 87' ' ' GLU . 0.2 OUTLIER -53.29 -38.91 63.54 Favored 'General case' 0 N--CA 1.494 1.726 0 C-N-CA 119.383 -0.927 . . . . 1.0 109.837 179.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 216' ' ' ARG . . . . . 0.813 ' HB2' ' HG3' ' A' ' 84' ' ' GLU . 18.0 tpp180 -67.5 -34.55 77.36 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 119.3 -0.96 . . . . 1.0 110.065 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 217' ' ' PHE . . . . . 0.858 ' HB3' ' HE2' ' A' ' 51' ' ' MET . 0.1 OUTLIER -73.27 -14.66 61.36 Favored 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 118.649 -1.22 . . . . 1.0 110.851 -179.275 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 218' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -86.91 -34.0 19.54 Favored 'General case' 0 C--N 1.292 -1.896 0 C-N-CA 118.923 -1.111 . . . . 1.0 109.175 178.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 219' ' ' LYS . . . . . . . . . . . . . 49.4 mmtt -86.59 -24.08 25.53 Favored 'General case' 0 C--N 1.308 -1.234 0 C-N-CA 119.627 -0.829 . . . . 1.0 111.169 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 220' ' ' ILE . . . . . 0.846 HD12 ' HA ' ' B' ' 217' ' ' PHE . 13.2 mt -48.01 -31.62 2.99 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 C-N-CA 118.944 -1.102 . . . . 1.0 108.686 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 221' ' ' SER . . . . . 0.432 ' O ' ' N ' ' B' ' 223' ' ' SER . 83.4 p -54.72 91.37 0.01 OUTLIER 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 119.227 -0.989 . . . . 1.0 108.898 178.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 222' ' ' SER . . . . . 0.484 ' N ' ' O ' ' B' ' 220' ' ' ILE . 39.0 m -55.37 88.6 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.748 0 C-N-CA 119.819 -0.753 . . . . 1.0 111.707 -178.545 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 223' ' ' SER . . . . . 0.519 ' C ' ' H ' ' B' ' 225' ' ' ALA . 3.0 m 25.31 102.93 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.628 0 O-C-N 124.075 0.859 . . . . 1.0 112.803 178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 224' ' ' GLY . . . . . 0.408 ' O ' ' C ' ' B' ' 225' ' ' ALA . . . -77.56 27.47 1.86 Allowed Glycine 0 N--CA 1.49 2.28 0 C-N-CA 119.104 -1.522 . . . . 1.0 109.543 178.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 225' ' ' ALA . . . . . 0.554 ' C ' HD12 ' B' ' 226' ' ' LEU . . . -35.63 -38.6 0.12 Allowed 'General case' 0 N--CA 1.505 2.294 0 C-N-CA 120.556 -0.457 . . . . 1.0 111.251 -179.718 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 226' ' ' LEU . . . . . 0.554 HD12 ' C ' ' B' ' 225' ' ' ALA . 9.7 mp . . . . . 0 N--CA 1.497 1.91 0 CA-C-O 118.23 -0.89 . . . . 1.0 109.766 179.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_