data_2mes_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 2mes _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 111.939 0.348 . . . . 1.33 111.939 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -59.71 -33.74 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.754 -0.657 . . . . 1.97 110.754 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.613 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 3.1 mp0 -60.98 -45.83 93.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.177 -0.675 . . . . 1.98 109.177 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.46 -46.86 86.56 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.86 -0.609 . . . . 1.82 109.475 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -51.72 -44.84 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.514 -0.312 . . . . 1.3 111.27 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.66 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.94 110.675 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 75.3 mt-10 -73.46 -47.73 39.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 1.57 109.953 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.16 -28.45 67.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.095 0.474 . . . . 2.21 110.203 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.11 -38.13 75.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.897 -0.779 . . . . 2.07 108.897 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.57 -46.05 77.29 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.713 -0.676 . . . . 1.64 110.361 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.627 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.75 -51.43 70.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.21 -0.45 . . . . 1.03 111.117 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.448 ' HZ ' ' O ' ' A' ' 25' ' ' GLY . 43.7 t80 -55.44 -35.55 65.56 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.236 -0.893 . . . . 1.64 110.128 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.1 m -69.24 -23.82 63.92 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 124.156 0.91 . . . . 0.87 112.106 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -89.24 -35.58 16.1 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 119.818 -0.753 . . . . 2.03 111.156 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.786 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -69.41 -38.28 77.86 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 118.039 0.382 . . . . 0.66 110.806 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -81.49 132.62 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.876 0.369 . . . . 0.54 110.997 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -133.8 20.8 3.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.95 111.609 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -128.51 -17.38 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.527 -0.306 . . . . 0.57 111.76 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.36 69.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.006 -0.616 . . . . 0.59 112.369 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -35.61 16.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.772 0.32 . . . . 0.58 110.524 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HZ ' ' A' ' 16' ' ' PHE . . . 100.24 15.65 29.74 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.413 -0.898 . . . . 0.74 113.291 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -133.04 142.47 48.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.884 -0.413 . . . . 0.59 109.884 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.558 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.7 mt -81.46 124.31 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.064 -0.347 . . . . 0.64 110.064 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -110.55 177.42 4.69 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.837 0.351 . . . . 0.47 110.337 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -82.69 -32.63 27.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.365 0.602 . . . . 0.85 110.195 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -69.46 -33.5 73.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.756 -0.656 . . . . 2.59 111.682 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -72.84 -56.26 5.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.774 0.321 . . . . 0.49 110.615 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.753 HD22 ' SG ' ' B' ' 3' ' ' CYS . 6.5 mp -64.62 -35.85 82.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.87 111.254 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.6 72.22 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.139 -0.784 . . . . 0.5 111.139 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.7 m -62.49 -40.57 97.13 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 115.65 -0.275 . . . . 0.81 110.943 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.9 -41.47 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.911 0.386 . . . . 0.95 110.024 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.482 ' HE2' ' HG3' ' A' ' 51' ' ' MET . 34.7 ttm -66.77 -11.51 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 1.38 110.421 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -40.99 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.89 -1.05 . . . . 2.29 108.707 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 m -71.05 -3.01 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.351 -0.841 . . . . 1.01 110.664 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -86.7 -3.3 59.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.067 -0.515 . . . . 0.96 110.922 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.05 7.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.387 -0.911 . . . . 0.89 112.0 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -140.03 162.64 34.73 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.048 -0.353 . . . . 1.44 110.048 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -142.47 96.67 6.25 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.393 -0.595 . . . . 1.59 109.393 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -93.36 149.95 2.43 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.148 2.565 . . . . 0.9 112.801 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -92.64 178.43 5.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.182 -0.463 . . . . 1.31 109.99 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.76 34.6 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.19 0.441 . . . . 2.18 112.19 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.59 70.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.148 0.499 . . . . 0.82 111.054 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.9 mp0 -75.7 -41.84 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.397 -0.82 . . . . 1.57 110.592 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.45 -36.24 73.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 0.92 112.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -85.72 -23.42 27.36 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.282 -0.567 . . . . 1.53 110.08 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.41 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.589 . . . . 1.38 110.217 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 12.2 mmt -64.76 -43.81 92.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.113 -0.948 . . . . 1.97 109.828 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.15 -42.6 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.911 -1.04 . . . . 0.79 111.394 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -55.11 -28.61 53.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.368 -0.378 . . . . 1.72 111.368 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.88 -35.32 79.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 2.84 110.775 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.9 -33.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.704 -0.68 . . . . 1.31 109.869 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.72 123.46 20.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.415 -0.811 . . . . 0.59 111.717 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.69 -15.67 7.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.964 -0.562 . . . . 0.77 110.712 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.0 -31.51 34.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.74 111.038 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.14 25.47 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.57 -0.824 . . . . 0.9 113.196 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -106.24 -25.55 11.92 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.751 -0.38 . . . . 0.65 111.369 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.58 48.18 4.84 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.393 -0.908 . . . . 0.55 112.396 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.3 m -159.13 134.56 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.743 0.417 . . . . 0.76 109.924 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.558 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 49.3 mt -77.62 93.88 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.567 -0.531 . . . . 1.08 109.567 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -179.01 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.52 110.908 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.82 -51.27 49.4 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.643 0.979 . . . . 1.38 113.643 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.44 -47.27 26.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.841 1.694 . . . . 0.7 112.772 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -71.5 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.52 110.62 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.4 t80 -65.22 -38.98 92.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.768 -0.651 . . . . 1.74 110.369 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.57 -51.09 60.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.405 . . . . 1.13 110.725 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -44.58 92.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.036 0.446 . . . . 1.05 110.535 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.573 ' CG ' HD21 ' B' ' 4' ' ' LEU . 6.5 ttp -59.2 -43.22 92.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.795 -0.639 . . . . 1.24 110.607 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.641 ' SD ' HG12 ' B' ' 7' ' ' VAL . 5.2 tmm? -65.88 -44.81 84.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 2.24 110.422 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.3 69.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.73 110.091 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -70.23 -15.16 62.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.53 -0.759 . . . . 1.73 111.49 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -116.53 -39.85 3.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.361 -0.536 . . . . 1.49 111.907 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.449 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 2.5 tmm? -51.08 -35.88 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.194 0.521 . . . . 2.02 110.877 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -123.47 31.45 5.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.62 -0.718 . . . . 2.32 110.613 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.42 117.68 14.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 1.41 111.315 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 p -142.71 16.85 1.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.303 -0.862 . . . . 1.88 109.242 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -133.52 30.51 3.81 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.523 -1.288 . . . . 1.78 107.523 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -41.61 110.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.67 -1.604 . . . . 1.35 114.269 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -108.77 -77.05 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.53 -0.915 . . . . 1.86 108.53 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.43 -21.35 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.912 -0.773 . . . . 2.7 108.912 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 7.0 mm-40 -52.17 -41.08 62.31 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.683 -1.144 . . . . 1.27 112.044 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.595 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 33.4 mt -56.39 -47.76 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.286 0.565 . . . . 2.16 109.752 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -43.41 96.68 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.584 -0.734 . . . . 2.9 112.005 -178.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.647 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 26.6 tt0 -48.12 -64.84 0.68 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.405 0.621 . . . . 1.47 112.265 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -23.15 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.59 111.622 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.595 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 121.092 0.472 . . . . 1.01 110.197 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -79.79 -18.93 49.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 2.72 110.931 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.731 HG23 ' SG ' ' B' ' 5' ' ' CYS . 98.3 t -85.61 -35.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.85 109.836 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -83.97 -44.39 14.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.479 -0.328 . . . . 0.54 110.72 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.15 97.11 9.18 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.735 0.779 . . . . 0.8 109.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -82.33 -32.82 29.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.638 -1.165 . . . . 2.12 111.703 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -75.03 -26.41 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.67 111.539 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.01 35.15 35.65 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.844 -0.693 . . . . 0.72 111.703 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.566 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -101.5 -19.05 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.86 110.193 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.83 21.14 34.54 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 120.802 -0.713 . . . . 0.6 113.548 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.672 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 7.6 m-85 -143.36 110.61 5.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 117.036 0.418 . . . . 1.72 110.162 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 5.8 mt -83.36 150.68 4.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 116.42 -0.354 . . . . 0.89 110.667 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.5 p -153.78 -177.5 6.43 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.595 -0.15 . . . . 1.47 110.595 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.02 3.55 4.29 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 122.466 1.127 . . . . 1.37 109.699 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.61 -68.43 0.68 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.269 -1.787 . . . . 1.18 108.51 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.88 -34.9 57.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.846 -1.07 . . . . 0.83 112.224 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 HG13 ' A' ' 121' ' ' VAL . 24.2 tp -61.1 -39.42 89.9 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.934 -0.306 . . . . 1.0 111.127 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -59.61 -43.61 93.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.42 110.329 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -50.42 73.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.795 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.5 t -63.04 -42.03 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.256 0.465 . . . . 0.73 112.256 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -34.96 77.68 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.992 0.425 . . . . 1.47 111.204 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -82.15 -29.75 31.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.95 -0.568 . . . . 0.75 110.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -38.71 80.46 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.947 -0.57 . . . . 1.08 110.5 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.4 -33.71 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 1.34 109.85 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.81 33.88 7.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.998 -0.62 . . . . 0.89 113.16 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.29 164.48 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.217 -0.29 . . . . 1.61 110.217 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -85.23 64.93 8.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.735 0.302 . . . . 1.54 111.787 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.63 128.91 38.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.941 0.4 . . . . 1.55 110.766 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.8 p -90.11 -175.58 4.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.465 -0.568 . . . . 1.19 109.465 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.42 -36.8 85.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 1.38 110.765 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.97 -27.83 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 2.33 110.981 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.97 -32.22 65.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.408 0.623 . . . . 1.86 109.941 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.417 HG13 HD23 ' A' ' 105' ' ' LEU . 54.0 t -65.69 -44.25 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.471 -0.786 . . . . 1.01 110.844 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.82 -36.83 81.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 0.96 111.026 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.42 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.4 tp10 -66.4 -49.51 66.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.734 -0.666 . . . . 1.2 110.447 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.799 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -60.51 -42.11 95.73 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.66 -0.7 . . . . 1.33 109.979 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.419 HG23 HD13 ' A' ' 125' ' ' ILE . 1.7 mm -51.91 -29.41 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 112.709 0.633 . . . . 1.23 112.709 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.42 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 22.6 mtm105 -84.67 13.93 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.436 0.532 . . . . 1.07 112.436 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -82.29 -41.96 19.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.886 -0.783 . . . . 2.04 108.886 178.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 127' ' ' GLU . . . -99.98 -13.48 19.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 1.31 110.521 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 126' ' ' ARG . 39.3 t0 -77.34 99.07 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.87 110.023 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.78 -47.67 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 1.12 111.544 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.74 -18.3 61.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.478 -0.328 . . . . 1.02 111.305 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 49.77 32.76 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.358 -0.925 . . . . 0.99 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -7.7 24.02 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.118 0.485 . . . . 1.02 110.33 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.85 4.52 63.38 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.769 -0.651 . . . . 0.91 111.79 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 11.7 mt-30 -135.96 157.95 45.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.379 0.609 . . . . 1.58 111.432 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.95 114.8 47.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.12 -1.067 . . . . 0.93 108.12 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.672 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 30.9 p30 -92.16 176.26 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.456 -0.497 . . . . 1.19 110.433 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.589 ' O ' HG23 ' A' ' 142' ' ' VAL . 10.7 t80 -54.92 -48.01 73.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.789 -0.641 . . . . 1.49 111.182 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -58.2 -46.1 86.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 2.6 111.44 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.402 ' HG3' ' OD1' ' A' ' 137' ' ' ASN . 51.8 mt-10 -64.42 -38.51 91.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.8 -0.636 . . . . 0.67 110.689 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.594 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 10.9 t80 -70.26 -40.47 74.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.296 -0.411 . . . . 1.07 110.911 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.1 t -61.71 -49.15 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.277 0.56 . . . . 0.96 110.511 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.96 -6.64 28.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.73 112.088 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -103.98 -41.1 5.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.33 . . . . 1.42 111.184 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.515 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -85.17 -44.14 13.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 2.06 111.886 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.1 m -83.28 -30.82 27.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.045 -0.525 . . . . 1.3 111.58 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.238 -0.437 . . . . 1.49 110.698 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' B' ' 5' ' ' CYS . 45.4 tpp . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.846 0.355 . . . . 2.97 110.623 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -71.11 0.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 1.88 111.28 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.753 ' SG ' HD22 ' A' ' 32' ' ' LEU . 91.4 m -61.4 -28.93 69.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.387 -0.369 . . . . 0.67 110.592 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.647 ' HB3' ' OE2' ' A' ' 87' ' ' GLU . 8.5 tp -75.84 -36.32 59.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.415 -0.357 . . . . 1.86 110.347 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 91' ' ' VAL . 7.8 p -65.54 -23.35 66.85 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.544 -0.91 . . . . 0.7 108.544 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.786 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.81 -39.35 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 108.301 -1.0 . . . . 1.08 108.301 176.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.641 HG12 ' SD ' ' A' ' 72' ' ' MET . 11.1 t -68.69 -34.44 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 108.77 -0.826 . . . . 1.09 108.77 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.515 HG23 ' SD ' ' A' ' 145' ' ' MET . 3.1 m -71.27 -40.34 70.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.095 -0.502 . . . . 1.04 109.776 177.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -64.33 -36.91 85.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 1.31 109.504 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.484 ' HZ2' ' CD ' ' A' ' 11' ' ' GLU . 4.5 tmtt? -69.8 -37.17 76.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.447 -0.575 . . . . 2.43 109.447 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -66.35 -45.93 78.5 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.345 -0.613 . . . . 1.84 109.345 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 80.3 t80 -64.35 -36.55 84.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.274 -0.875 . . . . 1.5 109.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.799 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 12.8 ttp85 -82.97 -10.27 58.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.026 -0.534 . . . . 3.52 111.15 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -96.35 -21.62 17.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 1.52 109.204 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -26.81 60.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.307 -0.861 . . . . 1.6 110.428 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -33.24 75.5 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.18 -0.674 . . . . 2.65 109.18 178.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.98 76.43 2.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.955 -1.02 . . . . 4.01 109.877 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -147.99 -62.85 0.26 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.939 0.4 . . . . 3.44 110.132 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.909 -0.567 . . . . 4.48 109.931 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.115 -0.328 . . . . 1.33 110.115 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.99 -34.65 70.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.473 -0.331 . . . . 1.97 111.565 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 24.5 mp0 -62.42 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 1.98 110.456 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -51.73 68.34 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.25 -0.648 . . . . 1.82 109.25 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mm -52.1 -42.46 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.3 110.308 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.21 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.94 110.678 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 24.2 mt-10 -72.25 -41.55 66.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.257 -0.429 . . . . 1.57 110.178 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -61.5 -31.79 71.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.223 -0.444 . . . . 2.21 109.927 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -58.73 -39.84 82.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 2.07 109.671 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -67.6 -36.77 81.5 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.612 -0.514 . . . . 1.64 109.612 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.12 73.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.954 -0.566 . . . . 1.03 110.191 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -54.75 -45.17 74.13 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.003 0.43 . . . . 1.64 110.083 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -66.21 -17.18 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.87 110.955 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 tp -87.77 -47.81 8.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 2.03 110.271 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' B' ' 6' ' ' ILE . 43.9 m-85 -71.98 -40.38 68.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.66 0.267 . . . . 0.66 111.294 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 12.5 t70 -78.74 138.0 38.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 0.54 111.258 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -141.29 25.76 2.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.95 111.214 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -127.73 -15.53 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.797 -0.361 . . . . 0.57 110.626 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.42 12.88 69.1 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.581 -0.819 . . . . 0.59 112.733 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -33.43 17.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.175 0.487 . . . . 0.58 110.636 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.02 -7.14 56.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.282 -0.961 . . . . 0.74 113.432 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -106.87 148.09 28.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.355 0.598 . . . . 0.59 110.801 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.6 mt -84.13 119.23 32.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.225 -0.898 . . . . 0.64 111.076 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -108.44 -177.59 3.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.235 -0.654 . . . . 0.47 109.235 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -82.21 -37.68 25.67 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.353 0.597 . . . . 0.85 110.355 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -65.96 -32.32 73.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.303 -0.862 . . . . 2.59 111.839 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.3 mt-10 -72.63 -54.09 10.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.834 0.35 . . . . 0.49 111.29 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.738 HD22 ' SG ' ' B' ' 3' ' ' CYS . 7.8 mp -64.94 -35.11 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.716 -0.476 . . . . 0.87 109.716 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.42 -40.07 93.76 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.967 -0.853 . . . . 0.5 110.967 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.8 m -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.143 -0.528 . . . . 0.81 110.953 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.93 -37.82 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.184 0.516 . . . . 0.95 110.406 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.47 ' HA ' HD13 ' A' ' 39' ' ' LEU . 11.1 ttm -69.22 -14.41 62.95 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.667 -0.697 . . . . 1.38 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.725 0.774 . . . . 2.29 109.071 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.98 -10.98 60.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.368 -0.833 . . . . 1.01 110.796 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 36' ' ' MET . 62.4 mt -81.03 -10.76 59.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.641 . . . . 0.96 110.432 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.86 13.89 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.057 -0.817 . . . . 0.89 111.057 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.2 158.29 28.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.39 . . . . 1.44 110.393 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.93 82.63 25.17 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.794 -0.639 . . . . 1.59 109.585 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 44.2 Cg_endo -87.98 149.02 6.97 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.683 2.255 . . . . 0.9 112.669 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.494 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -105.52 -176.11 2.98 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.105 -0.498 . . . . 1.31 110.633 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -47.86 -31.49 5.11 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.097 0.873 . . . . 2.18 113.146 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.89 -45.3 51.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.294 0.569 . . . . 0.82 111.109 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.494 ' CD ' ' H ' ' A' ' 44' ' ' THR . 3.1 mp0 -75.5 -42.27 53.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.763 -0.653 . . . . 1.57 110.438 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.4 ' O ' HG12 ' A' ' 52' ' ' ILE . 32.1 mt -59.07 -25.08 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.353 -0.839 . . . . 0.92 110.807 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -89.48 -33.81 16.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.762 -0.458 . . . . 1.53 109.762 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.19 -44.48 83.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.591 -0.731 . . . . 1.38 110.702 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.452 ' SD ' ' HG3' ' B' ' 1' ' ' MET . 5.9 mmt -60.66 -44.77 96.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 1.97 110.512 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 48' ' ' LEU . 42.7 mm -68.19 -46.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 0.79 111.46 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.44 -33.19 65.63 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.394 0.678 . . . . 1.72 112.735 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' B' ' 1' ' ' MET . 6.8 tm-20 -63.03 -31.66 72.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 2.84 110.202 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 t -92.24 -42.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 1.31 110.965 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.477 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 4.5 t70 -64.47 126.85 29.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.217 -0.901 . . . . 0.59 112.64 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.41 -7.8 2.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.449 -0.796 . . . . 0.77 110.133 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.78 -9.85 54.91 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.984 -0.553 . . . . 0.74 110.478 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.9 42.49 25.13 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 115.991 -0.549 . . . . 0.9 113.325 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -23.47 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.91 0.386 . . . . 0.65 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.419 ' C ' ' HG1' ' A' ' 62' ' ' THR . . . 77.4 48.98 7.67 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.145 -0.55 . . . . 0.55 112.819 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.419 ' HG1' ' C ' ' A' ' 61' ' ' GLY . 24.1 m -161.49 132.07 5.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.639 0.376 . . . . 0.76 110.804 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.489 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 3.5 mt -70.97 100.15 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.002 -0.74 . . . . 1.08 109.002 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.0 -178.39 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.52 111.997 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -64.95 -47.06 74.81 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.625 -0.716 . . . . 1.38 112.721 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 -43.67 57.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.106 1.871 . . . . 0.7 112.126 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 71' ' ' MET . 29.9 mt-10 -75.28 -28.86 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.614 . . . . 0.52 110.846 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.31 -45.58 92.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.315 -0.624 . . . . 1.74 109.315 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -63.99 -46.24 85.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.784 -0.644 . . . . 1.13 110.412 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -62.99 -47.24 84.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 1.05 110.445 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.554 ' HG2' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.14 -38.68 87.27 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.44 -0.8 . . . . 1.24 110.885 179.161 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.554 ' N ' ' HG2' ' A' ' 71' ' ' MET . 5.1 ttm -68.32 -43.08 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 2.24 110.893 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.67 71.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.052 0.453 . . . . 0.73 110.176 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.444 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 6.7 ttm180 -67.58 -24.47 65.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.621 . . . . 1.73 110.948 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HB3' HG13 ' B' ' 7' ' ' VAL . 0.3 OUTLIER -107.0 -20.58 13.28 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.111 0.412 . . . . 1.49 112.111 -179.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.8 ttm -63.64 -56.66 14.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.3 0.571 . . . . 2.02 110.637 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -107.67 38.01 2.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.395 -0.82 . . . . 2.32 110.328 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.412 ' O ' ' NZ ' ' B' ' 11' ' ' LYS . 2.0 t70 -62.07 111.01 1.76 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.122 -0.944 . . . . 1.41 110.581 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.83 5.8 0.69 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.883 0.849 . . . . 1.88 110.098 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.4 33.61 3.56 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.381 -1.711 . . . . 1.78 106.381 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.454 ' CB ' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -43.01 119.93 1.65 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.513 -1.676 . . . . 1.35 113.113 -178.06 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -108.9 -50.56 2.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.984 -1.007 . . . . 1.86 109.713 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -115.54 -24.86 8.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.722 -0.672 . . . . 2.7 110.706 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -51.42 -47.68 62.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.363 -0.835 . . . . 1.27 111.349 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.595 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 93.9 mt -52.63 -51.31 35.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-O 120.886 0.374 . . . . 2.16 110.211 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -66.59 -45.93 77.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 2.9 110.79 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.651 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 1.6 tt0 -53.9 -61.04 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.111 0.564 . . . . 1.47 111.924 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.19 -25.9 68.28 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.637 0.256 . . . . 0.59 111.27 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.595 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -73.71 -40.69 63.41 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.178 0.513 . . . . 1.01 109.722 -179.395 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -65.21 -34.36 78.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.475 -0.784 . . . . 2.72 111.235 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.622 HG23 ' SG ' ' B' ' 5' ' ' CYS . 93.1 t -75.42 -36.77 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.042 -0.526 . . . . 0.85 111.645 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -81.04 -28.97 35.18 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.086 0.47 . . . . 0.54 110.373 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -99.43 95.36 6.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.8 110.95 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.49 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 35.1 tttm -84.2 -22.1 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.103 0.409 . . . . 2.12 112.103 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -84.51 -22.15 30.3 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.37 -0.532 . . . . 0.67 111.998 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.33 27.27 59.94 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.423 -0.418 . . . . 0.72 113.311 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -93.33 -13.42 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.547 -0.384 . . . . 0.86 111.026 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.36 31.67 27.3 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.6 112.857 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 5.0 m-85 -145.21 116.91 8.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.094 -0.335 . . . . 1.72 110.094 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 mt -90.41 123.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.932 -0.396 . . . . 0.89 109.932 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.548 ' HB3' ' HG2' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -135.27 -164.65 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.234 -0.291 . . . . 1.47 111.072 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.62 17.7 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.309 1.052 . . . . 1.37 109.584 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.545 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -89.03 -83.33 0.23 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.688 -1.596 . . . . 1.18 111.061 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.5 mp0 -75.03 -28.7 60.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.104 -0.498 . . . . 0.83 112.275 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.74 -36.62 83.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.456 0.646 . . . . 1.0 110.498 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -60.75 -31.74 71.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.189 -0.914 . . . . 1.42 110.445 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.78 -54.82 5.48 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.321 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 104' ' ' GLU . 30.4 t -49.81 -48.31 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.083 0.553 . . . . 0.73 111.967 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -49.94 74.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.772 0.32 . . . . 1.47 111.478 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -70.16 -29.81 66.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.989 0.423 . . . . 0.75 111.285 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -73.22 -44.55 59.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.092 -0.503 . . . . 1.08 110.909 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.1 -35.65 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 1.34 110.29 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.11 13.1 14.07 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.715 -0.755 . . . . 0.89 112.762 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.546 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 0.5 OUTLIER -69.79 146.45 51.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.45 0.643 . . . . 1.61 110.828 -179.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.533 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -81.97 56.11 3.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.346 -0.843 . . . . 1.54 110.681 -178.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -123.49 126.9 47.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 1.55 111.429 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 121' ' ' VAL . 5.8 p -90.2 179.32 5.94 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.362 -0.835 . . . . 1.19 110.793 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.84 -42.23 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 1.38 110.147 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.14 -25.97 67.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.335 -0.848 . . . . 2.33 109.741 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.7 -40.29 23.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 1.86 109.236 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 117' ' ' THR . 55.2 t -59.09 -42.53 86.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 1.01 110.188 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.74 -29.83 66.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.96 110.762 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -70.73 -49.08 50.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.61 -0.723 . . . . 1.2 110.264 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.797 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 13.4 ttt -64.23 -38.8 92.36 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.874 -0.603 . . . . 1.33 110.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.43 -27.99 7.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.113 0.412 . . . . 1.23 112.113 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -87.65 23.87 1.85 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.327 0.491 . . . . 1.07 112.327 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.572 ' CD ' ' HH ' ' B' ' 12' ' ' TYR . 0.0 OUTLIER -89.94 -40.13 12.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.599 -0.519 . . . . 2.04 109.599 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -106.66 -15.34 14.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.31 110.772 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -75.42 89.72 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.578 -0.737 . . . . 0.87 110.486 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.5 mm -84.24 -36.58 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.365 -0.834 . . . . 1.12 110.827 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -63.75 -28.61 70.0 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.275 -0.42 . . . . 1.02 111.44 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.01 33.58 29.16 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.458 -0.657 . . . . 0.99 111.458 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -22.8 16.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.594 0.235 . . . . 1.02 110.497 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.9 12.13 55.78 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.949 -0.643 . . . . 0.91 113.275 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.548 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 26.4 mt-30 -136.03 113.04 10.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.793 0.33 . . . . 1.58 110.176 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -78.27 113.35 17.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.112 -0.495 . . . . 0.93 109.719 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 36.5 p30 -92.93 -169.87 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.023 0.44 . . . . 1.19 111.1 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -55.01 40.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.782 -0.644 . . . . 1.49 111.73 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 0.4 OUTLIER -58.85 -49.19 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 2.6 111.663 -177.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.43 -43.61 88.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.097 -0.501 . . . . 0.67 111.102 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.502 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 68.3 t80 -68.05 -42.66 80.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.411 . . . . 1.07 111.491 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.03 -47.25 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.96 110.805 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 139' ' ' GLU . 42.3 mt-30 -69.19 -8.91 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.368 0.507 . . . . 1.73 112.368 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -103.47 -37.75 7.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 1.42 111.858 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.641 ' SD ' HG23 ' B' ' 8' ' ' THR . 42.4 ttp -93.77 -45.22 7.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.763 0.316 . . . . 2.06 111.785 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -81.37 -17.3 49.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.076 0.465 . . . . 1.3 112.021 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.583 -0.28 . . . . 1.49 110.711 179.494 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.489 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.8 mtp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.432 0.634 . . . . 2.97 110.112 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 2' ' ' ASP . 0.0 OUTLIER -61.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.948 -1.024 . . . . 1.88 111.034 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.738 ' SG ' HD22 ' A' ' 32' ' ' LEU . 84.9 m -59.83 -31.02 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.512 0.672 . . . . 0.67 110.242 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.651 ' HB3' ' OE2' ' A' ' 87' ' ' GLU . 3.3 mm? -67.51 -52.55 37.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 1.86 111.508 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.622 ' SG ' HG23 ' A' ' 91' ' ' VAL . 15.3 p -61.28 -21.53 64.01 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.725 -0.472 . . . . 0.7 109.725 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.799 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.97 -46.93 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 107.595 -1.261 . . . . 1.08 107.595 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.464 HG13 ' HB3' ' A' ' 75' ' ' LYS . 2.6 t -62.61 -42.46 96.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 109.604 -0.517 . . . . 1.09 109.604 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.641 HG23 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -64.8 -41.9 95.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 1.04 110.674 179.21 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.8 m -61.39 -45.4 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.438 . . . . 1.31 109.926 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -65.14 -36.98 85.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.193 -0.458 . . . . 2.43 110.135 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 78' ' ' ASP . 20.3 tttt -66.89 -45.54 77.69 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.247 -0.433 . . . . 1.84 109.861 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.572 ' HH ' ' CD ' ' A' ' 127' ' ' GLU . 91.6 t80 -63.31 -40.61 97.82 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.075 -0.343 . . . . 1.5 110.075 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.797 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.11 -39.58 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.316 -0.402 . . . . 3.52 110.346 178.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -64.78 -35.29 80.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.097 0.475 . . . . 1.52 110.001 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -23.93 62.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.467 -0.788 . . . . 1.6 111.755 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -40.26 94.49 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.744 0.307 . . . . 2.65 110.781 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.65 84.12 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.556 -0.905 . . . . 4.01 108.556 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -146.6 -66.83 0.28 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.077 -0.51 . . . . 3.44 112.0 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.826 -0.607 . . . . 4.48 110.717 -179.185 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.72 0.295 . . . . 1.33 111.501 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.12 -24.61 66.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 1.97 111.394 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.48 -44.27 96.09 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.25 -0.648 . . . . 1.98 109.25 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.55 -45.84 88.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 1.82 109.967 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm -55.63 -36.84 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.195 0.521 . . . . 1.3 109.833 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -67.89 -35.16 78.02 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.676 -0.693 . . . . 0.94 110.124 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.516 ' CD ' ' HZ1' ' B' ' 10' ' ' LYS . 50.7 mt-10 -70.89 -47.63 58.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.119 -0.491 . . . . 1.57 110.311 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -56.18 -29.34 60.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.513 -0.312 . . . . 2.21 111.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 1.1 ttpm? -53.01 -34.29 55.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.086 -0.506 . . . . 2.07 110.675 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -39.96 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.595 -0.73 . . . . 1.64 109.729 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.63 80.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.579 . . . . 1.03 110.088 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -52.24 -46.22 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.276 0.36 . . . . 1.64 110.693 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -73.6 -12.04 60.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.126 0.489 . . . . 0.87 110.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.07 -51.56 5.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.8 -0.444 . . . . 2.03 109.8 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' B' ' 6' ' ' ILE . 41.1 m-85 -69.36 -40.66 77.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.582 -0.281 . . . . 0.66 110.79 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.85 137.53 41.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.54 110.808 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -142.22 21.05 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.066 -0.515 . . . . 0.95 110.667 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -127.55 -16.0 4.91 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.433 -0.349 . . . . 0.57 111.341 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.18 21.11 57.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 0.59 112.211 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -26.13 16.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.026 0.441 . . . . 0.58 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -5.17 76.41 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.985 -0.626 . . . . 0.74 113.559 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -110.44 154.74 23.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.174 0.512 . . . . 0.59 111.307 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.504 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -90.32 132.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.359 -0.837 . . . . 0.64 111.07 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -123.04 179.66 4.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.203 -0.666 . . . . 0.47 109.203 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -32.63 31.49 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.496 0.665 . . . . 0.85 110.105 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -76.39 -32.95 58.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 2.59 112.245 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.588 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.3 mt-10 -71.53 -50.5 30.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.938 -0.476 . . . . 0.49 111.283 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.744 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.8 mp -65.79 -31.12 71.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.133 0.492 . . . . 0.87 109.868 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.23 88.71 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.307 -0.717 . . . . 0.5 111.307 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -62.36 -43.52 98.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.84 -0.18 . . . . 0.81 111.103 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -65.55 -38.4 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 121.262 0.554 . . . . 0.95 109.754 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtm -69.12 -9.88 54.94 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.529 -0.76 . . . . 1.38 111.565 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -86.74 -40.85 14.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.06 -0.719 . . . . 2.29 109.06 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -72.71 -12.35 60.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.241 -0.89 . . . . 1.01 111.64 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.15 6.45 25.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.96 110.108 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.0 26.84 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.848 -0.691 . . . . 0.89 111.486 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -137.74 156.85 47.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.615 -0.513 . . . . 1.44 109.615 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -139.13 85.06 16.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 120.939 0.4 . . . . 1.59 110.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -89.94 142.51 3.92 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 122.901 2.401 . . . . 0.9 112.214 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.429 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -95.99 -177.23 3.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.116 -0.493 . . . . 1.31 109.874 178.011 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.2 -30.47 6.99 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.007 1.114 . . . . 2.18 114.007 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.5 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.295 0.569 . . . . 0.82 110.524 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 44' ' ' THR . 2.8 mp0 -76.19 -38.32 56.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 1.57 109.623 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 52' ' ' ILE . 40.5 mt -56.72 -34.0 67.06 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.92 111.222 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -88.99 -29.8 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.75 -0.463 . . . . 1.53 109.75 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.9 -43.01 90.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.831 -0.803 . . . . 1.38 108.831 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 18.7 mmt -58.25 -51.34 70.17 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.014 -0.993 . . . . 1.97 110.606 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 48' ' ' LEU . 40.3 mm -60.42 -35.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.677 . . . . 0.79 111.659 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -53.6 -36.55 62.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.672 0.619 . . . . 1.72 112.672 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -30.32 69.74 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.364 0.602 . . . . 2.84 110.524 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.516 HG12 ' SD ' ' A' ' 71' ' ' MET . 48.2 t -95.73 -49.52 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.824 -0.625 . . . . 1.31 110.874 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.65 124.54 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.314 -0.857 . . . . 0.59 111.668 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.42 -8.36 3.72 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.578 -0.737 . . . . 0.77 110.187 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -19.97 24.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.628 . . . . 0.74 110.751 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 53.08 3.11 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.559 -0.829 . . . . 0.9 111.779 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.031 -0.268 . . . . 0.65 110.813 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.53 39.66 4.38 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.38 -0.914 . . . . 0.55 112.4 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 m -154.95 133.82 12.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.765 0.317 . . . . 0.76 110.881 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.504 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 61.7 mt -75.72 98.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 108.738 -0.838 . . . . 1.08 108.738 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.5 p30 -103.24 178.93 4.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.52 112.151 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 68.1 t80 -67.19 -48.89 47.03 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.654 -0.703 . . . . 1.38 112.746 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.2 Cg_exo -52.76 -54.01 5.86 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.848 1.699 . . . . 0.7 112.55 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -65.14 -27.78 68.97 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.054 -0.258 . . . . 0.52 110.845 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.2 t80 -61.2 -34.5 75.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.72 0.638 . . . . 1.74 109.947 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.37 -55.55 15.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.374 -0.375 . . . . 1.13 110.472 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -39.23 90.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 1.05 110.728 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.701 ' HG2' ' CD2' ' B' ' 4' ' ' LEU . 6.2 ttp -58.05 -51.5 69.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.102 -0.954 . . . . 1.24 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.719 ' SD ' HG11 ' B' ' 7' ' ' VAL . 2.7 tmm? -67.14 -38.76 86.09 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.32 -0.855 . . . . 2.24 110.844 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.24 73.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.73 0.3 . . . . 0.73 111.76 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -72.19 -34.39 68.37 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.487 -0.324 . . . . 1.73 111.31 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.563 ' HE3' ' CD2' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -102.58 11.86 37.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 1.49 111.693 -178.722 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.9 ttm -83.28 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.502 0.667 . . . . 2.02 109.871 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -126.93 48.43 2.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.608 -0.724 . . . . 2.32 109.284 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -53.37 123.45 12.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.913 -1.039 . . . . 1.41 111.002 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.32 25.76 1.86 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.849 -1.069 . . . . 1.88 108.387 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -137.27 25.76 2.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 113.885 -1.507 . . . . 1.78 107.275 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -35.1 104.09 0.03 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 113.519 -1.673 . . . . 1.35 114.248 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -126.91 -66.8 0.88 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.909 -1.041 . . . . 1.86 109.462 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.44 -34.8 12.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.087 0.47 . . . . 2.7 110.163 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.643 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 1.2 pm0 -60.73 -42.58 97.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.313 -0.858 . . . . 1.27 111.184 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.632 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -58.87 -39.55 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.18 -0.674 . . . . 2.16 109.18 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.435 ' N ' HG21 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -74.37 -43.57 55.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.768 -0.651 . . . . 2.9 109.985 179.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.502 ' OE2' ' HA ' ' B' ' 5' ' ' CYS . 0.1 OUTLIER -54.68 -54.53 40.54 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.184 -0.462 . . . . 1.47 111.449 179.081 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.06 64.27 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.819 0.343 . . . . 0.59 110.918 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.632 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -77.14 -38.37 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.144 -0.687 . . . . 1.01 109.144 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -72.07 -36.78 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 2.72 111.188 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.74 HG23 ' SG ' ' B' ' 5' ' ' CYS . 91.4 t -69.94 -37.27 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.375 -0.375 . . . . 0.85 110.201 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -79.39 -31.13 42.74 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.795 0.331 . . . . 0.54 111.358 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.23 87.61 5.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.8 110.559 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -77.51 -24.01 50.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 2.12 111.928 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -84.0 -20.2 33.22 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.262 -0.575 . . . . 0.67 110.773 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.45 65.91 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.099 -0.572 . . . . 0.72 113.09 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.3 -17.27 23.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.18 0.49 . . . . 0.86 110.964 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.61 3.96 59.44 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.583 -0.818 . . . . 0.6 113.356 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.25 117.81 23.01 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.566 -0.373 . . . . 1.72 110.456 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 mt -95.71 139.07 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.89 110.975 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.3 p -151.62 -168.34 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.637 -0.505 . . . . 1.47 109.637 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 8.94 1.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.948 0.88 . . . . 1.37 110.43 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.555 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -76.74 -81.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.828 -1.533 . . . . 1.18 110.292 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.24 -27.19 56.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.83 112.187 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.06 -39.76 93.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.466 0.65 . . . . 1.0 110.108 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.19 -42.32 90.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.579 -0.737 . . . . 1.42 111.099 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.52 -42.7 78.15 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.223 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.07 -37.19 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.886 0.374 . . . . 0.73 110.091 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -41.78 93.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 1.47 109.914 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -72.81 -33.32 66.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.75 110.615 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -44.41 75.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 1.08 110.518 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.11 -27.79 64.87 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 1.34 110.551 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.78 35.6 24.64 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.238 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 164.76 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.697 0.284 . . . . 1.61 110.351 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -83.76 58.96 4.91 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.019 0.438 . . . . 1.54 111.134 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.8 mp -134.25 123.22 23.9 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.55 110.875 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.7 p -96.13 -170.47 2.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.171 -0.468 . . . . 1.19 109.912 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -55.95 -49.03 74.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.917 0.389 . . . . 1.38 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.72 -35.17 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.733 -0.667 . . . . 2.33 111.516 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.81 -34.87 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 1.86 111.166 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 117' ' ' THR . 59.3 t -65.32 -43.65 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.397 0.618 . . . . 1.01 109.789 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.26 -40.24 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.96 110.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.597 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 19.0 tp10 -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 1.2 110.164 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.748 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 17.4 ttt -66.98 -39.04 87.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.825 -0.625 . . . . 1.33 110.859 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.52 -28.25 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.071 0.463 . . . . 1.23 111.83 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.597 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 22.4 mtm105 -84.55 13.45 5.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 1.07 112.427 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.808 -0.812 . . . . 2.04 108.808 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.51 -19.15 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 1.31 110.759 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.454 ' HA ' ' OE2' ' A' ' 140' ' ' GLU . 5.4 t70 -73.78 99.36 3.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.295 0.569 . . . . 0.87 110.583 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.7 mm -99.24 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.696 -0.684 . . . . 1.12 111.498 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -76.14 -18.74 58.99 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.78 0.289 . . . . 1.02 111.78 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.74 46.32 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.899 -0.667 . . . . 0.99 111.44 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 -30.65 5.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.611 0.243 . . . . 1.02 110.774 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.59 -11.26 46.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.577 -0.82 . . . . 0.91 113.709 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.29 121.57 44.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.267 0.533 . . . . 1.58 110.236 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.22 113.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.148 -0.478 . . . . 0.93 110.238 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -95.4 174.52 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.451 -0.34 . . . . 1.19 110.586 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.67 -52.11 33.37 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 122.786 0.435 . . . . 1.49 111.911 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.24 -48.04 74.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 2.6 111.019 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 144' ' ' MET . 43.1 mt-10 -65.19 -36.42 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.67 111.178 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.468 ' HE1' ' CE1' ' B' ' 12' ' ' TYR . 2.8 t80 -72.94 -43.12 62.73 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.12 -0.232 . . . . 1.07 110.636 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.94 -50.55 79.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.183 0.516 . . . . 0.96 110.46 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.21 -19.1 62.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.02 -0.991 . . . . 1.73 111.791 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 1.0 OUTLIER -104.27 -21.7 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.107 0.41 . . . . 1.42 112.107 -178.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 44.0 mmm -88.61 -54.0 4.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.275 -0.266 . . . . 2.06 110.972 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -81.07 -41.73 22.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 1.3 111.22 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.334 -0.394 . . . . 1.49 111.134 -179.691 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.635 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.185 -0.302 . . . . 2.97 110.185 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -28.56 -75.84 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.026 1.491 . . . . 1.88 115.026 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.744 ' SG ' HD21 ' A' ' 32' ' ' LEU . 72.6 m -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.398 0.518 . . . . 0.67 112.398 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.701 ' CD2' ' HG2' ' A' ' 71' ' ' MET . 6.4 mt -76.94 -42.86 37.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.169 0.433 . . . . 1.86 112.169 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.74 ' SG ' HG23 ' A' ' 91' ' ' VAL . 31.6 p -63.08 -25.81 68.54 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.353 -0.98 . . . . 0.7 108.353 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -65.84 -42.18 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.498 -1.297 . . . . 1.08 107.498 176.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.719 HG11 ' SD ' ' A' ' 72' ' ' MET . 41.9 t -63.45 -45.22 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.539 -0.755 . . . . 1.09 109.832 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -67.53 -36.67 81.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.063 -0.517 . . . . 1.04 110.424 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.604 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.2 m -65.36 -34.95 79.52 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.81 -0.811 . . . . 1.31 108.81 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.516 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -69.22 -35.19 75.92 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.801 -0.636 . . . . 2.43 109.59 178.598 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -68.44 -48.7 63.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.2 -0.667 . . . . 1.84 109.2 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.468 ' CE1' ' HE1' ' A' ' 141' ' ' PHE . 72.1 t80 -61.42 -41.75 97.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.358 -0.837 . . . . 1.5 108.868 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.748 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -70.4 -15.16 62.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.497 -0.774 . . . . 3.52 110.604 179.17 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 2.1 t80 -90.27 -23.57 21.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.775 -0.648 . . . . 1.52 109.435 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.421 ' HA ' ' NE2' ' B' ' 15' ' ' GLN . 0.5 OUTLIER -74.47 -22.15 59.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.827 -0.624 . . . . 1.6 110.347 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -35.54 81.35 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.384 -0.969 . . . . 2.65 108.384 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -76.58 76.8 3.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.605 -1.179 . . . . 4.01 110.071 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -161.53 -34.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.462 -0.495 . . . . 3.44 112.194 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.722 -0.656 . . . . 4.48 110.783 -179.854 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 110.639 -0.134 . . . . 1.33 110.639 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.96 -37.79 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.97 111.364 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp0 -60.42 -45.54 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 1.98 110.724 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -60.17 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.759 -0.46 . . . . 1.82 109.759 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.91 -40.94 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.704 -0.68 . . . . 1.3 110.604 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.47 86.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.995 0.426 . . . . 0.94 110.824 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.531 ' CD ' ' HZ3' ' B' ' 10' ' ' LYS . 56.9 mt-10 -67.69 -47.58 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 1.57 109.973 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 19.3 m-85 -63.66 -32.01 73.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.379 -0.373 . . . . 2.21 111.046 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -56.24 -37.79 70.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.293 -0.632 . . . . 2.07 109.293 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.85 -39.46 72.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.236 -0.893 . . . . 1.64 110.228 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -47.19 86.77 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.304 -0.628 . . . . 1.03 109.304 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -35.8 71.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.175 -0.92 . . . . 1.64 109.974 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -70.68 -23.12 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.663 -0.699 . . . . 0.87 111.816 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -90.34 -31.99 16.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.461 -0.496 . . . . 2.03 110.225 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.811 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -72.16 -45.11 61.75 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.275 0.56 . . . . 0.66 110.221 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.88 143.71 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.501 -0.772 . . . . 0.54 111.504 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -139.86 14.57 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.95 110.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -123.84 -20.43 5.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.887 0.328 . . . . 0.57 111.887 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.5 21.0 59.12 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.147 -0.549 . . . . 0.59 112.387 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -22.62 20.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.373 -0.487 . . . . 0.58 110.365 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.19 5.71 65.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.647 -0.787 . . . . 0.74 113.14 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 143.56 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.108 0.454 . . . . 0.59 111.004 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.547 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 1.9 mt -76.09 140.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.64 110.391 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.476 ' N ' HG23 ' A' ' 27' ' ' ILE . 71.1 p -128.18 -179.12 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.3 -0.63 . . . . 0.47 109.3 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -37.91 31.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.624 0.726 . . . . 0.85 110.934 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -74.61 -26.85 60.18 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.403 -0.817 . . . . 2.59 111.939 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -75.01 -50.43 16.58 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.09 0.472 . . . . 0.49 110.505 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.811 HD22 ' SG ' ' B' ' 3' ' ' CYS . 7.3 mp -67.07 -38.0 85.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.87 111.154 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.89 -34.04 70.42 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.789 -0.719 . . . . 0.5 112.144 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.8 m -63.59 -40.14 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.761 -0.459 . . . . 0.81 109.761 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.46 -45.03 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.943 0.401 . . . . 0.95 111.015 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.476 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -67.57 -11.85 59.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 1.38 110.432 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -82.54 -41.59 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.735 -0.839 . . . . 2.29 108.735 179.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . 0.526 ' HB2' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -71.24 -15.37 62.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.996 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -79.46 -1.85 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.139 -0.482 . . . . 0.96 110.962 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.28 25.12 27.11 Favored Glycine 0 CA--C 1.503 -0.661 0 C-N-CA 121.065 -0.588 . . . . 0.89 112.277 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 37.1 mt-30 -127.94 144.76 51.1 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 1.44 109.444 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -134.64 90.87 22.33 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.415 -0.587 . . . . 1.59 109.415 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 19.7 Cg_endo -89.57 153.7 5.27 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.722 2.948 . . . . 0.9 112.8 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.69 174.31 8.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.089 -0.338 . . . . 1.31 110.089 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -56.15 -27.23 53.43 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.682 0.277 . . . . 2.18 110.791 179.447 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.61 74.02 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.206 0.527 . . . . 0.82 109.642 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.42 -40.53 61.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.768 -0.651 . . . . 1.57 110.195 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 mt -64.98 -22.03 66.94 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.562 -0.744 . . . . 0.92 110.955 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 1.5 tp-100 -90.08 -42.92 10.83 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.36 -0.978 . . . . 1.53 108.36 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.06 -41.98 89.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.749 -1.114 . . . . 1.38 110.228 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.2 mmt -54.06 -49.39 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.35 -0.841 . . . . 1.97 111.269 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 mm -68.23 -31.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 0.79 111.541 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.17 -27.21 66.94 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.443 0.64 . . . . 1.72 111.776 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -82.39 6.98 15.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.886 -0.597 . . . . 2.84 111.283 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.431 ' CG1' HD11 ' A' ' 63' ' ' ILE . 90.3 t -130.51 -41.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.644 0.735 . . . . 1.31 109.493 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.18 135.36 49.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.902 -1.045 . . . . 0.59 110.562 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.9 -14.98 3.46 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.01 -0.541 . . . . 0.77 110.813 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -79.73 -23.63 42.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.74 110.257 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 40.36 4.95 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.794 -0.717 . . . . 0.9 112.232 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.496 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -120.05 -23.61 6.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 0.65 110.496 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.3 52.47 8.66 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.971 -0.633 . . . . 0.55 112.371 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.1 m -160.14 126.05 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.411 0.284 . . . . 0.76 110.529 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.547 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.49 102.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.115 -0.698 . . . . 1.08 109.115 178.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.2 p30 -106.1 178.64 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.52 110.194 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.08 -48.25 70.94 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 112.842 0.682 . . . . 1.38 112.842 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -54.28 -45.41 41.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 121.873 1.716 . . . . 0.7 112.245 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -75.83 -30.08 58.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.953 -0.388 . . . . 0.52 109.953 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.586 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.0 t80 -59.9 -40.98 90.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.969 -0.56 . . . . 1.74 110.5 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.29 -54.6 19.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 1.13 111.746 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -60.47 -47.78 84.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.327 0.584 . . . . 1.05 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.499 ' HG3' HD23 ' B' ' 4' ' ' LEU . 1.6 ttp -60.77 -40.88 94.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.01 -0.996 . . . . 1.24 110.733 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.693 ' SD ' HG13 ' B' ' 7' ' ' VAL . 4.5 tmm? -66.03 -57.16 8.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 2.24 110.35 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.99 -28.07 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.116 -0.493 . . . . 0.73 111.439 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.721 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -76.11 -15.61 60.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.224 0.453 . . . . 1.73 112.224 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' NZ ' ' HG ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -113.17 -34.24 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.274 -0.57 . . . . 1.49 112.149 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.591 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 7.5 tmm? -61.75 -40.69 96.02 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.649 0.262 . . . . 2.02 110.324 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -112.12 20.96 16.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.71 0.29 . . . . 2.32 110.777 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.721 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.3 t70 -69.04 135.41 50.8 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.246 0.546 . . . . 1.41 111.678 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.46 21.66 1.18 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.163 -0.926 . . . . 1.88 109.866 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.96 26.89 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.376 -0.972 . . . . 1.78 108.376 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.44 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -41.59 124.01 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 113.365 -1.743 . . . . 1.35 114.014 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -121.7 -46.86 2.22 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.138 0.494 . . . . 1.86 109.693 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.299 -0.41 . . . . 2.7 110.916 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 2.0 pm0 -53.14 -37.37 61.75 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.63 0.581 . . . . 1.27 110.985 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.65 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 45.1 mt -53.97 -49.97 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 121.338 0.59 . . . . 2.16 109.92 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -47.47 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.347 -0.842 . . . . 2.9 110.589 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.426 ' OE2' ' HG2' ' B' ' 1' ' ' MET . 3.2 tt0 -48.41 -62.25 1.59 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.735 -0.666 . . . . 1.47 112.113 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -21.14 65.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 111.732 0.271 . . . . 0.59 111.732 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.39 -37.52 65.94 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 109.629 -0.508 . . . . 1.01 109.629 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -75.98 -28.94 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 2.72 110.245 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.795 HG23 ' SG ' ' B' ' 5' ' ' CYS . 79.8 t -74.1 -37.27 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.051 0.453 . . . . 0.85 109.976 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -82.97 -48.06 11.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.902 -0.59 . . . . 0.54 111.073 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.36 111.32 16.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.271 0.557 . . . . 0.8 109.791 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 38.4 tttm -97.41 -31.29 12.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.799 -0.637 . . . . 2.12 111.864 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -75.2 -19.21 59.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.318 . . . . 0.67 110.54 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.09 78.51 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.819 -0.705 . . . . 0.72 112.198 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.513 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -85.53 -18.52 33.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.493 0.187 . . . . 0.86 110.876 -178.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.8 27.16 24.92 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.589 -0.815 . . . . 0.6 113.426 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.513 ' HB2' HD22 ' A' ' 97' ' ' ASN . 12.5 m-85 -144.69 113.16 6.61 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.909 0.385 . . . . 1.72 110.263 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 33.5 mt -89.75 139.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.588 . . . . 0.89 111.071 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.585 ' C ' ' H ' ' A' ' 103' ' ' ALA . 4.2 p -152.55 -170.71 3.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.274 -0.269 . . . . 1.47 110.274 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.63 9.81 1.3 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.644 1.211 . . . . 1.37 109.414 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.585 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -82.1 -77.28 0.23 Allowed 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.341 -1.754 . . . . 1.18 109.631 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.9 mt-10 -80.89 -32.55 34.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.461 -0.79 . . . . 0.83 113.006 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.22 -40.55 86.22 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.21 0.528 . . . . 1.0 110.697 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -57.29 -43.36 83.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.895 -1.048 . . . . 1.42 110.254 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.18 -47.27 86.94 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.732 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 104' ' ' GLU . 5.9 t -62.13 -46.5 96.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 111.82 0.304 . . . . 0.73 111.82 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.38 92.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.793 0.33 . . . . 1.47 111.215 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -71.88 -26.52 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.75 110.612 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . 0.526 ' OD1' ' HB2' ' A' ' 38' ' ' SER . 1.2 t-20 -79.56 -45.65 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.507 -0.315 . . . . 1.08 110.789 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.89 -43.91 97.88 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.297 0.57 . . . . 1.34 110.391 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.05 33.76 1.6 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.177 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.425 ' OE2' ' HD3' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -77.6 157.69 30.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.142 0.496 . . . . 1.61 110.692 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -90.53 28.25 1.53 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.963 -0.562 . . . . 1.54 110.962 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -109.04 122.94 48.33 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.187 0.44 . . . . 1.55 112.187 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 -171.95 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 1.19 109.737 177.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.51 -45.34 94.16 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.864 0.32 . . . . 1.38 111.864 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.26 -33.78 76.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.847 0.356 . . . . 2.33 110.671 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.17 -33.31 63.43 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.512 -0.767 . . . . 1.86 108.985 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.41 -44.79 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 1.01 109.349 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.59 -47.07 77.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.836 0.351 . . . . 0.96 110.24 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -57.45 -40.62 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 1.2 110.484 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.737 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 10.7 ttt -69.92 -44.53 69.45 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.433 -0.349 . . . . 1.33 110.903 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.91 -28.66 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 120.993 0.425 . . . . 1.23 111.442 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.13 17.67 0.75 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.484 0.55 . . . . 1.07 112.484 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -40.26 12.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.498 -0.556 . . . . 2.04 109.498 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 130' ' ' ILE . . . -101.98 -22.64 14.25 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.947 -0.569 . . . . 1.31 111.244 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.49 103.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.153 -0.476 . . . . 0.87 109.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 128' ' ' ALA . 23.1 mm -97.36 -28.36 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.974 -0.557 . . . . 1.12 111.199 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -75.88 -22.65 55.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.904 0.383 . . . . 1.02 111.758 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.89 29.33 54.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.634 -0.793 . . . . 0.99 111.552 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.87 -19.27 19.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.73 0.3 . . . . 1.02 110.514 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.95 7.8 67.85 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.007 -0.616 . . . . 0.91 113.358 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 80.3 mt-30 -132.27 111.03 11.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.663 0.268 . . . . 1.58 110.385 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.413 HG23 ' OH ' ' B' ' 12' ' ' TYR . 57.0 t -72.38 119.09 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.908 -0.404 . . . . 0.93 109.908 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 28.4 p30 -96.72 -175.09 3.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 1.19 110.423 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.469 ' O ' HG22 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -58.5 -51.79 68.36 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.569 -0.287 . . . . 1.49 111.704 -178.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 5.8 mp0 -57.8 -48.04 80.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 2.6 111.527 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.52 -38.18 77.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.67 111.537 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.576 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 7.4 t80 -74.71 -35.25 62.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.235 -0.439 . . . . 1.07 110.598 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 138' ' ' TYR . 53.5 t -63.62 -42.49 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.93 0.395 . . . . 0.96 109.999 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 139' ' ' GLU . 17.1 mt-30 -67.73 -4.12 11.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.113 -0.494 . . . . 1.73 111.342 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.1 mmm -111.4 -32.14 6.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.115 0.483 . . . . 1.42 111.472 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.426 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.9 OUTLIER -90.89 -50.57 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.923 -0.485 . . . . 2.06 111.01 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -79.73 -30.97 41.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.076 -0.511 . . . . 1.3 111.46 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.673 0.273 . . . . 1.49 110.64 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.426 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 4.2 ttt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 122.474 1.13 . . . . 2.97 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . 0.464 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.81 -55.2 15.08 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.763 -1.562 . . . . 1.88 112.06 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.811 ' SG ' HD22 ' A' ' 32' ' ' LEU . 32.9 m -61.86 -33.04 73.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.528 -0.306 . . . . 0.67 111.348 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.53 ' HG ' ' NZ ' ' A' ' 75' ' ' LYS . 2.0 tp -75.79 -41.43 52.93 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.361 -0.381 . . . . 1.86 111.949 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.795 ' SG ' HG23 ' A' ' 91' ' ' VAL . 14.3 p -64.49 -25.5 68.02 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.801 -0.814 . . . . 0.7 108.801 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.811 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.84 -40.41 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 107.221 -1.4 . . . . 1.08 107.221 176.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.693 HG13 ' SD ' ' A' ' 72' ' ' MET . 19.4 t -65.11 -42.28 93.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.262 -0.881 . . . . 1.09 109.28 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.495 ' OG1' ' HG2' ' A' ' 75' ' ' LYS . 4.3 m -66.88 -40.41 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.457 0.646 . . . . 1.04 109.992 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.0 m -63.45 -37.91 89.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.766 -0.827 . . . . 1.31 108.766 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.531 ' HZ3' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -64.67 -39.27 93.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 2.43 109.865 178.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' OE1' ' B' ' 15' ' ' GLN . 8.0 tttt -63.36 -51.19 66.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.203 -0.666 . . . . 1.84 109.203 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.576 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 56.5 t80 -60.82 -37.22 81.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.5 110.089 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.737 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -80.52 -9.99 59.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.126 -0.488 . . . . 3.52 111.176 179.279 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -94.62 -15.46 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.52 109.757 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.471 ' OE1' ' HE2' ' B' ' 11' ' ' LYS . 0.1 OUTLIER -87.75 -10.19 51.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.795 -0.639 . . . . 1.6 110.041 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -61.27 -33.57 73.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.817 -0.629 . . . . 2.65 111.425 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -109.15 45.66 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.458 0.646 . . . . 4.01 110.533 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -85.06 -58.68 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.144 0.497 . . . . 3.44 109.841 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.389 -0.815 . . . . 4.48 109.622 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.3 0 N-CA-C 110.756 -0.09 . . . . 1.33 110.756 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.44 -33.82 63.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.726 0.641 . . . . 1.97 111.164 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.8 mp0 -54.38 -46.56 73.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.127 -0.488 . . . . 1.98 110.168 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.19 -46.83 87.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.719 -0.475 . . . . 1.82 109.719 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -52.95 -45.45 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.162 -0.472 . . . . 1.3 110.201 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -64.69 -29.61 70.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.465 -0.788 . . . . 0.94 111.081 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 48.7 mt-10 -74.98 -50.21 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.39 -0.368 . . . . 1.57 110.287 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -60.24 -23.04 63.74 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.375 -0.375 . . . . 2.21 110.878 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 2.0 ttpt -51.84 -39.96 59.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.67 -0.695 . . . . 2.07 109.553 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.96 -34.46 73.44 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.425 -0.807 . . . . 1.64 110.452 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.67 -50.05 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 1.03 110.164 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -27.73 68.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.043 -0.354 . . . . 1.64 110.043 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -80.51 -9.13 59.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.87 110.969 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -105.65 -39.35 6.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.894 -0.41 . . . . 2.03 109.894 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.811 ' CE2' HD12 ' B' ' 6' ' ' ILE . 15.7 m-85 -68.35 -41.16 81.1 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.939 -0.393 . . . . 0.66 109.939 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.66 140.2 39.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.864 -0.607 . . . . 0.54 110.679 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 26.6 mmtm -138.83 20.58 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 0.95 111.441 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -127.83 -26.11 2.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.835 0.309 . . . . 0.57 111.835 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.21 12.64 56.02 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.885 -0.674 . . . . 0.59 112.675 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.7 -27.22 27.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.455 . . . . 0.58 109.993 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 19.05 48.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.571 -0.823 . . . . 0.74 113.889 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.64 146.32 45.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 117.307 0.554 . . . . 0.59 110.373 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.579 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.2 mp -80.04 134.4 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.64 111.2 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.7 p -124.92 176.15 6.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.483 -0.932 . . . . 0.47 108.483 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -78.39 -37.23 44.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.531 0.681 . . . . 0.85 109.4 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.099 -0.955 . . . . 2.59 112.411 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.2 mt-10 -71.64 -57.3 4.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 121.979 -0.451 . . . . 0.49 111.231 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.795 HD22 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -60.88 -35.91 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.911 -0.586 . . . . 0.87 110.53 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.65 97.14 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.833 -0.621 . . . . 0.5 111.951 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -34.18 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.781 0.324 . . . . 0.81 110.873 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.47 -38.57 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.763 0.315 . . . . 0.95 110.71 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.51 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -74.57 -11.2 60.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.473 . . . . 1.38 110.553 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 21.7 ttp180 -77.63 -44.8 27.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.126 -0.694 . . . . 2.29 109.126 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -7.72 41.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.642 -0.708 . . . . 1.01 111.641 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.69 -1.65 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.96 109.931 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.51 7.05 62.12 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.616 -0.802 . . . . 0.89 111.159 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.3 mm100 -108.75 141.61 40.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.15 -0.525 . . . . 1.44 110.232 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -132.18 77.61 70.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.67 -0.493 . . . . 1.59 109.67 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 73.3 Cg_endo -80.98 159.55 20.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.402 2.068 . . . . 0.9 112.031 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -100.09 174.72 6.03 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.94 -0.573 . . . . 1.31 109.972 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.89 -23.7 5.26 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.675 0.62 . . . . 2.18 112.675 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.37 -41.53 63.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.552 0.691 . . . . 0.82 109.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -81.13 -40.17 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.447 -0.797 . . . . 1.57 109.672 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.3 mt -54.25 -45.49 72.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.777 -0.647 . . . . 0.92 111.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.6 -24.89 45.19 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.861 -0.335 . . . . 1.53 110.258 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.4 -43.18 96.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.213 0.53 . . . . 1.38 109.812 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.503 ' SD ' ' HG2' ' B' ' 1' ' ' MET . 21.6 mmt -63.75 -45.0 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.333 -0.848 . . . . 1.97 110.513 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.12 -37.91 80.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 0.79 110.421 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.63 -31.74 72.65 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.155 -0.475 . . . . 1.72 110.862 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -63.06 -36.2 82.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.076 -0.511 . . . . 2.84 109.669 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 t -83.83 -36.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 1.31 110.9 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.39 129.2 38.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.59 112.107 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.6 -15.91 5.93 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.436 -0.802 . . . . 0.77 110.368 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -83.3 -28.27 29.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.758 -0.377 . . . . 0.74 110.696 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.82 33.06 5.68 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.616 -0.802 . . . . 0.9 112.403 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -108.42 -26.9 10.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.554 -0.38 . . . . 0.65 111.119 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.473 ' C ' ' HG1' ' A' ' 62' ' ' THR . . . 85.84 39.2 8.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.55 112.472 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.473 ' HG1' ' C ' ' A' ' 61' ' ' GLY . 11.2 m -159.84 135.06 8.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.411 0.285 . . . . 0.76 110.379 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 8.4 mt -72.77 100.96 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.386 -0.598 . . . . 1.08 109.386 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.53 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 1.6 p30 -99.52 -174.89 2.84 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.276 -0.42 . . . . 0.52 111.155 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.83 -47.95 30.92 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 112.578 0.585 . . . . 1.38 112.578 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 76.8 Cg_exo -54.42 -43.77 55.7 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.973 1.782 . . . . 0.7 112.162 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -72.89 -26.8 61.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.349 -0.387 . . . . 0.52 110.179 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.08 -43.52 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 1.74 110.488 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.93 -48.95 67.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.695 -0.684 . . . . 1.13 110.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 m -62.24 -44.48 96.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.125 -0.488 . . . . 1.05 110.668 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.634 ' HG3' ' CD2' ' B' ' 4' ' ' LEU . 19.1 ttp -56.64 -37.1 70.3 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.56 0.695 . . . . 1.24 110.365 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.7 ttm -72.45 -41.4 66.16 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.195 -0.911 . . . . 2.24 110.0 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.1 -38.23 90.04 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.286 -0.415 . . . . 0.73 111.4 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 7.6 ttm180 -66.02 -7.96 20.27 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.545 0.572 . . . . 1.73 112.545 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.547 ' CE ' HD12 ' B' ' 4' ' ' LEU . 1.4 tppt? -124.24 -30.2 3.47 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.186 0.439 . . . . 1.49 112.186 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.61 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 8.4 ttm -55.24 -32.84 62.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.143 0.497 . . . . 2.02 110.574 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.61 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 32.8 mtmt -134.49 32.74 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 2.32 110.433 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.558 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.6 t70 -68.11 107.77 2.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.01 0.433 . . . . 1.41 110.117 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.7 p -130.33 11.93 5.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.319 0.58 . . . . 1.88 110.598 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -136.09 36.43 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.347 -0.983 . . . . 1.78 108.347 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -36.8 110.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.844 -1.526 . . . . 1.35 114.294 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -84.03 -69.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.089 -1.078 . . . . 1.86 108.089 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -119.84 -5.21 10.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.322 -0.992 . . . . 2.7 108.322 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -50.57 -51.01 52.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.601 -1.181 . . . . 1.27 112.565 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.2 pt -61.3 -33.25 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 2.16 110.71 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -48.36 56.71 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.992 -0.549 . . . . 2.9 109.86 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.57 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -52.0 -51.31 58.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.688 0.617 . . . . 1.47 110.716 178.123 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.55 66.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.739 0.304 . . . . 0.59 111.023 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -81.85 -35.46 29.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.985 0.421 . . . . 1.01 110.039 179.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -68.76 -33.55 74.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 2.72 110.261 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.694 HG23 ' SG ' ' B' ' 5' ' ' CYS . 84.7 t -78.83 -35.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.85 110.139 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -79.68 -42.53 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.54 112.085 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.8 97.39 11.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.8 110.368 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -80.52 -26.98 37.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 2.12 112.324 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -80.86 -17.42 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.43 -0.508 . . . . 0.67 111.175 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.96 27.39 70.57 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.954 -0.641 . . . . 0.72 113.573 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.483 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.0 p-10 -92.94 -19.46 21.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.519 0.66 . . . . 0.86 111.975 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.77 4.35 56.93 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.483 -0.865 . . . . 0.6 113.159 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.483 ' HB2' HD22 ' A' ' 97' ' ' ASN . 79.8 m-85 -133.38 108.2 8.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.731 -0.47 . . . . 1.72 109.731 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.36 117.65 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.488 -0.56 . . . . 0.89 109.488 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.2 172.23 6.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 1.47 111.847 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.35 79.2 0.54 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.483 -0.78 . . . . 1.37 109.737 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 175.03 -48.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.284 -0.871 . . . . 1.18 110.956 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.81 -44.9 84.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.503 -0.771 . . . . 0.83 110.186 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.01 -35.2 80.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.428 -0.806 . . . . 1.0 109.005 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.1 mtt85 -57.78 -50.3 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.543 -0.753 . . . . 1.42 110.723 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -63.62 -54.52 34.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.957 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.1 t -54.65 -47.77 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 111.894 0.331 . . . . 0.73 111.894 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 1.47 111.584 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.2 m -79.45 -31.23 42.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.396 . . . . 0.75 110.846 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -45.19 78.19 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.27 -0.423 . . . . 1.08 110.446 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.53 -25.65 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.73 -0.668 . . . . 1.34 110.097 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 55.46 2.78 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.844 -0.694 . . . . 0.89 111.7 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.23 159.37 14.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.902 -0.407 . . . . 1.61 109.902 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.47 38.7 0.79 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.28 -0.418 . . . . 1.54 110.247 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mp -107.14 113.97 27.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.35 -0.387 . . . . 1.55 111.404 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.42 10.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.039 -0.528 . . . . 1.19 110.181 178.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.55 -52.02 50.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.729 0.64 . . . . 1.38 112.729 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -24.5 66.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.446 -0.343 . . . . 2.33 111.525 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -79.78 -34.56 39.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.86 110.33 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.7 -39.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.058 -0.719 . . . . 1.01 109.058 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.51 -40.86 93.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.38 -0.827 . . . . 0.96 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -61.14 -39.37 89.8 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.038 -0.727 . . . . 1.2 109.038 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.645 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.1 ttt -67.99 -39.26 83.3 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.26 -0.882 . . . . 1.33 109.412 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.467 HG23 HD13 ' A' ' 125' ' ' ILE . 0.7 OUTLIER -55.21 -24.4 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.523 -0.762 . . . . 1.23 111.882 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 mtm105 -99.05 7.21 46.15 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.608 0.596 . . . . 1.07 112.608 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.617 ' OE2' ' HG3' ' A' ' 124' ' ' MET . 10.0 pt-20 -70.24 -41.44 73.52 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.461 -0.496 . . . . 2.04 109.95 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.431 ' HA ' ' HG3' ' A' ' 144' ' ' MET . . . -104.08 -7.29 20.36 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.075 0.465 . . . . 1.31 110.969 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 4.6 t70 -76.19 100.95 5.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.547 -0.751 . . . . 0.87 110.118 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . 0.462 HD12 HG22 ' A' ' 130' ' ' ILE . 7.9 mm -99.21 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.555 -0.748 . . . . 1.12 111.154 -178.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -86.27 -28.51 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.449 -0.341 . . . . 1.02 110.345 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.64 48.87 5.38 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.377 -0.689 . . . . 0.99 111.377 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -17.15 7.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.741 0.274 . . . . 1.02 111.741 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.61 3.45 66.57 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.398 -0.906 . . . . 0.91 113.647 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -124.16 115.49 21.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.297 0.549 . . . . 1.58 110.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.444 HG12 ' HB2' ' A' ' 141' ' ' PHE . 97.2 t -77.05 97.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.24 -0.652 . . . . 0.93 109.24 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 174.2 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.54 . . . . 1.19 110.377 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -53.86 -51.75 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.33 0.493 . . . . 1.49 112.33 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -65.21 -37.53 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.865 0.321 . . . . 2.6 111.865 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 144' ' ' MET . 19.1 mt-10 -63.08 -38.97 93.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.67 111.022 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' B' ' 12' ' ' TYR . 51.8 t80 -80.59 -37.27 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.255 -0.429 . . . . 1.07 111.399 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.2 t -61.22 -49.66 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.99 0.424 . . . . 0.96 110.923 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -78.72 1.11 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.052 -0.522 . . . . 1.73 112.213 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.612 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 2.0 tmm? -109.91 -38.2 5.41 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.494 -0.482 . . . . 1.42 112.103 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.632 ' SD ' HG23 ' B' ' 8' ' ' THR . 41.2 ttp -84.4 -44.9 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.253 -0.579 . . . . 2.06 110.802 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.5 m -71.9 -41.96 67.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.823 0.344 . . . . 1.3 111.427 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 1.49 110.912 -179.115 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.503 ' HG2' ' SD ' ' A' ' 51' ' ' MET . 9.4 ptp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.787 0.327 . . . . 2.97 111.055 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' B' ' 2' ' ' ASP . 0.0 OUTLIER -77.01 -72.46 0.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.182 0.515 . . . . 1.88 110.041 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.795 ' SG ' HD22 ' A' ' 32' ' ' LEU . 76.7 m -65.38 -24.53 67.25 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.809 0.814 . . . . 0.67 108.982 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.634 ' CD2' ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -66.36 -50.31 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.664 -1.153 . . . . 1.86 109.985 178.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.694 ' SG ' HG23 ' A' ' 91' ' ' VAL . 13.7 p -64.8 -24.07 67.44 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.692 -0.231 . . . . 0.7 110.851 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.811 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.19 -41.57 91.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.428 -0.953 . . . . 1.08 108.428 177.109 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.09 -38.06 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.607 -0.516 . . . . 1.09 109.607 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.632 HG23 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -69.54 -41.09 76.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.272 -0.422 . . . . 1.04 110.963 179.224 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 96.2 m -62.15 -33.27 74.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.481 -0.933 . . . . 1.31 108.481 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -68.68 -43.6 75.8 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.918 -1.037 . . . . 2.43 109.823 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -62.5 -45.81 91.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.186 -0.672 . . . . 1.84 109.186 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.525 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 90.3 t80 -62.99 -46.5 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.921 -0.581 . . . . 1.5 109.832 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.645 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -71.28 -11.87 61.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.935 -0.575 . . . . 3.52 111.15 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -102.04 -9.06 20.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.935 -0.575 . . . . 1.52 109.855 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 144' ' ' MET . 6.1 tp60 -74.73 -38.45 62.27 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.279 -0.873 . . . . 1.6 109.798 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.84 -37.79 66.61 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.526 0.679 . . . . 2.65 109.727 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.04 87.75 3.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.404 -0.816 . . . . 4.01 109.316 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -158.03 -55.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.926 -0.579 . . . . 3.44 110.753 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.68 -0.691 . . . . 4.48 110.408 179.345 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.318 0 N-CA-C 112.079 0.4 . . . . 1.33 112.079 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.75 -26.53 65.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.814 -0.63 . . . . 1.97 111.557 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 19.2 mp0 -59.19 -47.99 83.29 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.024 -0.732 . . . . 1.98 109.024 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.61 -44.74 95.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.512 -0.767 . . . . 1.82 109.661 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 9' ' ' ILE . 43.1 mm -51.9 -43.94 36.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.116 -0.493 . . . . 1.3 110.357 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.87 -31.77 72.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.94 111.081 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CD ' ' HZ3' ' B' ' 10' ' ' LYS . 74.5 mt-10 -72.1 -49.25 37.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 1.57 110.477 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -60.36 -29.34 68.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.461 -0.336 . . . . 2.21 110.529 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -55.79 -40.24 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.237 -0.653 . . . . 2.07 109.237 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -69.89 -37.67 76.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.659 . . . . 1.64 109.591 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.7 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -61.83 -51.84 66.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.466 -0.788 . . . . 1.03 109.999 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -32.79 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 1.64 110.098 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 m -71.52 -18.5 62.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.612 -0.722 . . . . 0.87 111.645 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -93.68 -39.03 11.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.21 -0.596 . . . . 2.03 110.486 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.801 ' CE2' HD12 ' B' ' 6' ' ' ILE . 29.4 m-85 -69.06 -40.38 78.56 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.66 110.451 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.27 138.5 34.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.54 110.744 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -141.24 8.53 2.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.168 -0.469 . . . . 0.95 111.188 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -112.95 -17.93 12.35 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.824 0.305 . . . . 0.57 111.824 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 11.67 68.12 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.292 -0.956 . . . . 0.59 112.26 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -27.88 25.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.58 110.196 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.9 5.1 68.63 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.8 -0.714 . . . . 0.74 114.215 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.1 158.61 30.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.231 0.515 . . . . 0.59 110.581 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.553 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.5 mp -90.09 127.56 42.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.119 0.485 . . . . 0.64 111.921 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.3 p -119.45 173.85 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.886 -0.783 . . . . 0.47 108.886 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -80.79 -27.49 36.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.628 0.727 . . . . 0.85 109.872 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -67.44 -38.49 84.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.617 -1.174 . . . . 2.59 112.256 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.9 mt-10 -75.61 -54.48 6.91 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.701 0.63 . . . . 0.49 112.701 -177.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.717 HD22 ' SG ' ' B' ' 3' ' ' CYS . 10.1 mp -62.61 -34.72 77.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.87 110.619 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.55 91.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.927 -0.654 . . . . 0.5 112.155 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.3 m -63.23 -37.36 86.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.777 0.322 . . . . 0.81 111.076 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.1 -41.38 67.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.417 0.627 . . . . 0.95 110.324 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.2 ttm -65.35 -11.19 39.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.404 -0.816 . . . . 1.38 111.042 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 8.9 ttp180 -85.57 -40.69 16.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.489 -0.778 . . . . 2.29 109.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -69.12 -11.43 60.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.456 -0.793 . . . . 1.01 111.418 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.57 12.94 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.154 0.502 . . . . 0.96 109.789 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.26 25.09 71.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.782 -0.644 . . . . 0.89 112.053 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 46.2 mt-30 -122.47 137.37 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 1.44 109.976 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.34 81.36 37.95 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.863 -0.792 . . . . 1.59 108.863 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -82.17 138.5 10.1 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.392 2.728 . . . . 0.9 112.007 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 p -75.05 169.55 17.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 1.31 110.258 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -47.68 -49.14 28.56 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.267 0.354 . . . . 2.18 111.891 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.55 94.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 111.828 0.307 . . . . 0.82 111.828 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.24 -39.25 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.377 -0.601 . . . . 1.57 109.377 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.78 -25.33 66.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.92 -0.582 . . . . 0.92 110.825 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.47 -37.71 19.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.334 -0.617 . . . . 1.53 109.334 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 23.8 t70 -55.52 -37.96 68.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.267 -0.879 . . . . 1.38 109.197 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.85 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.533 -0.758 . . . . 1.97 109.741 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 mm -64.55 -38.93 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.79 110.069 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.42 -30.02 66.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.791 -0.641 . . . . 1.72 110.62 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.556 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 6.4 mm-40 -63.25 -27.25 69.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 2.84 111.871 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.663 HG11 ' SD ' ' B' ' 1' ' ' MET . 1.8 m -119.84 23.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.962 0.41 . . . . 1.31 110.693 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.54 113.91 19.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.59 110.155 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.39 -6.92 8.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.007 -0.542 . . . . 0.77 110.547 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -81.45 -19.5 42.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.332 -0.618 . . . . 0.74 109.332 178.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 19.44 48.73 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.626 -0.716 . . . . 0.9 114.209 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.489 HD22 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -100.95 -18.63 16.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.301 0.55 . . . . 0.65 110.971 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.06 51.57 10.1 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.737 -0.744 . . . . 0.55 112.354 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.489 ' HB ' HD22 ' A' ' 60' ' ' ASN . 90.4 m -164.53 135.16 4.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.603 0.361 . . . . 0.76 110.144 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.553 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 13.1 mt -74.0 101.32 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.4 -0.963 . . . . 1.08 108.4 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.71 179.32 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.512 -0.313 . . . . 0.52 111.255 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -69.59 -48.34 24.06 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.244 0.461 . . . . 1.38 112.244 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.26 -51.64 9.15 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.026 1.817 . . . . 0.7 112.066 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.43 -31.21 68.31 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.116 -0.493 . . . . 0.52 111.059 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' MET . 60.9 t80 -62.17 -37.44 85.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.074 -0.512 . . . . 1.74 110.371 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.38 -53.03 55.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.633 -0.712 . . . . 1.13 110.94 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -37.96 75.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 1.05 111.201 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' B' ' 4' ' ' LEU . 7.7 ttp -62.86 -42.29 99.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 1.24 110.392 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.705 ' SD ' HG12 ' B' ' 7' ' ' VAL . 3.4 tmm? -70.97 -42.96 69.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.992 -0.549 . . . . 2.24 110.726 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.04 69.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.369 0.604 . . . . 0.73 110.576 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.659 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 mtm180 -78.87 1.15 24.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.117 -0.947 . . . . 1.73 111.583 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HZ1' ' HG ' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -128.26 -20.23 3.76 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.859 -0.337 . . . . 1.49 111.619 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.492 ' SD ' ' HG3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -60.97 -47.51 86.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.059 0.457 . . . . 2.02 111.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.492 ' HG3' ' SD ' ' A' ' 76' ' ' MET . 40.7 mtmt -127.29 30.68 5.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.446 -0.576 . . . . 2.32 109.446 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 t0 -62.43 126.75 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.799 -0.637 . . . . 1.41 111.692 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 22.87 0.76 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.718 -1.128 . . . . 1.88 108.942 177.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -145.65 34.5 1.04 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.507 -0.769 . . . . 1.78 111.153 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -89.41 172.72 8.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.847 1.055 . . . . 1.35 113.847 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -136.38 -51.43 0.7 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.682 -1.145 . . . . 1.86 109.634 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.35 -30.01 16.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.875 -0.602 . . . . 2.7 111.62 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -54.82 -37.68 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 1.27 111.757 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.5 mt -57.37 -45.33 85.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.194 0.521 . . . . 2.16 111.095 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -42.6 91.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.97 -0.559 . . . . 2.9 109.986 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HG3' ' CG ' ' B' ' 1' ' ' MET . 0.5 OUTLIER -46.25 -64.79 0.67 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.073 0.858 . . . . 1.47 112.002 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -24.52 66.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 111.793 0.294 . . . . 0.59 111.793 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -70.74 -42.83 70.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.53 -0.468 . . . . 1.01 110.166 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -74.53 -18.86 60.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.552 -0.749 . . . . 2.72 111.369 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.837 HG23 ' SG ' ' B' ' 5' ' ' CYS . 72.0 t -77.39 -33.53 19.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.409 -0.589 . . . . 0.85 109.409 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -88.37 -42.75 11.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.54 111.027 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.9 100.58 11.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.953 -0.567 . . . . 0.8 110.185 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -86.82 -29.15 22.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.046 -0.524 . . . . 2.12 112.055 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -75.01 -21.45 59.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.324 -0.55 . . . . 0.67 111.007 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.95 16.17 77.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.981 -0.628 . . . . 0.72 111.923 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -13.9 48.73 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.624 0.25 . . . . 0.86 110.549 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 37.27 18.29 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.661 -0.781 . . . . 0.6 113.352 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -149.96 109.69 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.554 0.342 . . . . 1.72 110.112 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.642 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 46.6 mt -80.19 135.49 25.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.444 0.164 . . . . 0.89 111.161 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 103' ' ' ALA . 75.1 p -144.48 177.73 8.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.04 -0.356 . . . . 1.47 110.04 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.01 3.59 5.21 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.257 1.027 . . . . 1.37 110.341 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.09 -72.09 0.42 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.242 -1.799 . . . . 1.18 108.37 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 108' ' ' VAL . 3.1 mt-10 -72.27 -35.51 68.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.043 -0.98 . . . . 0.83 112.161 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . 0.42 HD23 HG13 ' A' ' 121' ' ' VAL . 24.1 tp -61.69 -37.35 83.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.897 0.379 . . . . 1.0 111.665 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 106' ' ' ARG . 28.5 ttm180 -63.63 -36.77 84.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.445 . . . . 1.42 110.183 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -69.06 -42.62 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 104' ' ' GLU . 19.7 t -71.21 -44.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.427 0.528 . . . . 0.73 112.427 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.12 86.67 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.901 0.382 . . . . 1.47 111.217 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 m -72.19 -23.55 61.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 0.75 110.237 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -78.07 -44.69 25.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 1.08 110.435 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.72 -33.46 75.7 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.989 -0.551 . . . . 1.34 110.431 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.33 35.06 7.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.604 -0.808 . . . . 0.89 111.554 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 166.36 14.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 1.61 110.656 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 78.33 6.9 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.354 -0.61 . . . . 1.54 109.354 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.403 ' HG ' ' CB ' ' A' ' 120' ' ' GLU . 4.2 tp -150.63 117.33 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 1.55 109.968 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.91 -175.88 4.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.228 -0.286 . . . . 1.19 110.228 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.69 -44.06 97.0 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.727 0.299 . . . . 1.38 111.596 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -32.01 73.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 2.33 110.497 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' CB ' ' HG ' ' A' ' 116' ' ' LEU . 30.9 mm-40 -72.43 -41.34 66.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.362 -0.835 . . . . 1.86 109.647 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.42 HG13 HD23 ' A' ' 105' ' ' LEU . 24.5 t -58.94 -41.9 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.39 -0.823 . . . . 1.01 110.439 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.97 -42.16 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.359 . . . . 0.96 110.198 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.52 -46.34 86.97 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.198 0.523 . . . . 1.2 110.15 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.756 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 19.6 ttt -70.8 -34.88 72.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.267 -0.879 . . . . 1.33 110.417 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 -31.54 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 1.23 111.161 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.1 mtm105 -86.77 16.03 5.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.075 0.398 . . . . 1.07 112.075 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.576 ' OE1' ' HG3' ' A' ' 124' ' ' MET . 11.1 pt-20 -76.58 -48.05 20.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.367 -0.533 . . . . 2.04 110.388 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 127' ' ' GLU . . . -101.89 0.01 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.181 0.515 . . . . 1.31 110.5 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.2 91.87 2.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.87 109.929 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.5 mm -78.47 -34.88 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.545 -0.752 . . . . 1.12 111.745 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -81.37 -36.31 29.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.146 -0.479 . . . . 1.02 111.127 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.1 6.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.96 -0.638 . . . . 0.99 111.806 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -95.96 -14.09 23.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 1.02 110.61 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.77 12.02 61.18 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.846 -0.616 . . . . 0.91 112.339 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 65.8 mt-30 -134.65 116.66 15.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.81 -0.195 . . . . 1.58 110.933 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.29 112.52 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.003 -0.739 . . . . 0.93 109.003 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -90.25 -179.17 5.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 1.19 110.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -59.89 -51.92 67.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.568 0.581 . . . . 1.49 112.568 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.69 -38.66 78.74 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.954 0.407 . . . . 2.6 110.817 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 144' ' ' MET . 49.8 mt-10 -64.43 -41.87 96.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.974 -0.557 . . . . 0.67 110.593 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.504 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 25.7 t80 -73.26 -38.71 65.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.441 . . . . 1.07 111.514 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.81 -48.42 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.095 0.474 . . . . 0.96 111.013 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -73.19 -6.02 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.73 111.899 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 3.1 tmm? -107.18 -36.66 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.5 0.556 . . . . 1.42 112.5 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.584 ' SD ' HG22 ' B' ' 8' ' ' THR . 2.0 ttp -104.47 -29.34 10.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.793 -0.567 . . . . 2.06 111.972 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -97.46 -1.21 44.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.582 0.706 . . . . 1.3 110.744 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 1.49 110.608 -179.8 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.663 ' SD ' HG11 ' A' ' 55' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.428 0.632 . . . . 2.97 109.924 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -63.19 1.19 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.605 -1.179 . . . . 1.88 112.11 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.717 ' SG ' HD22 ' A' ' 32' ' ' LEU . 83.3 m -55.86 -29.09 59.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.737 -0.665 . . . . 0.67 112.691 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.568 ' HG ' ' HZ1' ' A' ' 75' ' ' LYS . 6.8 tp -82.15 -38.33 24.86 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.861 -0.524 . . . . 1.86 109.74 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.837 ' SG ' HG23 ' A' ' 91' ' ' VAL . 2.4 p -65.2 -27.99 69.07 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.067 -1.086 . . . . 0.7 108.067 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.801 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -64.17 -43.73 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 107.339 -1.356 . . . . 1.08 107.339 176.595 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.705 HG12 ' SD ' ' A' ' 72' ' ' MET . 20.3 t -64.17 -40.36 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.66 -0.7 . . . . 1.09 109.419 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.584 HG22 ' SD ' ' A' ' 145' ' ' MET . 2.1 m -64.61 -42.16 95.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.013 0.435 . . . . 1.04 110.04 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 57.8 m -62.19 -36.24 81.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 1.31 110.032 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.508 ' HZ2' ' HB3' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -76.95 -30.34 55.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 2.43 110.427 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -74.05 -40.22 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.915 -0.772 . . . . 1.84 108.915 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 93.1 t80 -66.9 -45.54 77.66 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.732 -0.84 . . . . 1.5 108.732 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.756 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 2.3 ttp85 -65.56 -23.3 66.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.089 -0.505 . . . . 3.52 110.552 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -81.88 -22.22 37.0 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.568 -0.531 . . . . 1.52 109.568 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.71 -36.83 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.545 -0.909 . . . . 1.6 108.545 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.28 -42.38 73.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.66 -0.7 . . . . 2.65 109.917 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -88.52 80.18 7.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.339 -0.846 . . . . 4.01 108.866 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -152.69 -28.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.828 -1.078 . . . . 3.44 110.027 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.141 -0.936 . . . . 4.48 110.097 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . 0.749 ' HB ' ' OE1' ' A' ' 7' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 120.938 0.399 . . . . 1.33 111.915 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.99 -43.94 90.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.417 0.895 . . . . 1.97 113.417 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.749 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.92 -36.93 82.83 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.18 -0.608 . . . . 1.98 109.63 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -48.38 77.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.471 -0.566 . . . . 1.82 109.471 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mm -51.38 -43.5 30.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.291 0.567 . . . . 1.3 109.588 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.49 90.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.169 -0.923 . . . . 0.94 110.478 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -66.22 -53.38 37.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.223 -0.444 . . . . 1.57 110.51 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -59.94 -28.85 67.98 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.315 -0.402 . . . . 2.21 111.214 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -58.27 -38.13 76.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.268 -0.641 . . . . 2.07 109.268 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.21 -34.13 72.54 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.64 110.198 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.94 -44.69 95.38 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.818 -0.808 . . . . 1.03 108.818 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -59.46 -38.03 79.72 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.231 -0.655 . . . . 1.64 109.231 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.2 m -67.89 -22.07 65.11 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.481 -0.782 . . . . 0.87 111.78 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -96.64 -36.23 10.78 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.606 -0.837 . . . . 2.03 110.737 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.748 ' CZ ' ' HA ' ' B' ' 3' ' ' CYS . 11.4 m-85 -68.68 -45.83 70.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.067 0.46 . . . . 0.66 110.326 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.98 133.6 36.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.591 . . . . 0.54 110.44 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -129.21 -5.79 4.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.036 -0.529 . . . . 0.95 111.525 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -100.06 -18.63 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.57 111.599 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.63 67.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.82 -0.705 . . . . 0.59 112.59 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.85 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.951 -0.389 . . . . 0.58 109.951 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.73 -3.5 78.16 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.022 -0.609 . . . . 0.74 113.932 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.4 152.16 30.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.888 0.344 . . . . 0.59 110.388 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 62' ' ' THR . 1.3 mp -83.59 121.27 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.64 111.527 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -103.42 173.72 6.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.392 -0.595 . . . . 0.47 109.392 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.86 -31.55 56.9 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.429 0.633 . . . . 0.85 109.472 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -29.78 56.31 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.371 -0.831 . . . . 2.59 111.947 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 23.6 mt-10 -71.72 -57.69 4.14 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 121.555 -0.716 . . . . 0.49 110.329 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.777 HD22 ' SG ' ' B' ' 3' ' ' CYS . 7.4 mp -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.87 110.566 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.72 -36.04 77.12 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.168 -0.539 . . . . 0.5 112.522 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.81 111.155 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 t -66.95 -44.09 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.352 . . . . 0.95 110.065 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mtm -63.69 -18.83 64.4 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.491 0.662 . . . . 1.38 110.743 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.53 -42.17 14.65 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.576 -0.738 . . . . 2.29 110.127 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -72.46 -8.61 55.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 1.01 111.393 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -87.34 -3.55 59.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.96 109.984 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.78 31.55 9.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.929 -0.653 . . . . 0.89 112.852 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -133.33 153.91 51.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.767 0.317 . . . . 1.44 110.195 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -124.95 92.19 48.06 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.289 -0.414 . . . . 1.59 110.469 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -91.36 132.04 1.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.297 2.665 . . . . 0.9 111.193 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 p -89.7 -176.2 4.9 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.96 -0.296 . . . . 1.31 110.695 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.27 -44.94 16.93 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.684 0.794 . . . . 2.18 113.135 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -38.23 79.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.952 0.353 . . . . 0.82 111.952 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -71.29 -41.34 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.912 -0.403 . . . . 1.57 109.912 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' HG12 ' A' ' 52' ' ' ILE . 31.8 mt -63.06 -25.47 68.39 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.92 111.912 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -89.68 -38.92 13.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.723 -0.473 . . . . 1.53 109.723 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -42.47 79.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.125 -0.943 . . . . 1.38 109.451 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt -58.09 -47.25 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.376 -0.829 . . . . 1.97 110.933 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 48' ' ' LEU . 30.3 mm -69.7 -40.26 79.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.458 -0.792 . . . . 0.79 110.866 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -57.52 -32.13 66.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.559 -0.291 . . . . 1.72 111.437 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.37 -18.58 64.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.598 -0.274 . . . . 2.84 111.538 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.644 HG13 ' SD ' ' A' ' 71' ' ' MET . 57.3 t -110.3 -34.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.271 0.557 . . . . 1.31 110.305 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.13 126.09 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.308 -0.86 . . . . 0.59 111.108 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.34 -20.49 5.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.696 -0.684 . . . . 0.77 110.4 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -16.4 55.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.812 -0.631 . . . . 0.74 111.284 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.36 53.67 4.04 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.751 -0.738 . . . . 0.9 112.285 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -27.7 2.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.748 0.309 . . . . 0.65 110.323 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.23 52.25 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.55 112.734 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 27' ' ' ILE . 41.5 m -163.84 134.34 4.36 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 122.312 0.245 . . . . 0.76 110.696 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.43 84.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 108.841 -0.8 . . . . 1.08 108.841 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.3 p30 -83.55 176.08 9.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52 110.134 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.49 -51.19 53.1 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.592 0.59 . . . . 1.38 112.592 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -50.03 -47.48 23.52 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.916 1.744 . . . . 0.7 112.225 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -72.74 -30.94 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.561 -0.29 . . . . 0.52 110.65 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.5 ' O ' ' HB2' ' A' ' 72' ' ' MET . 33.9 t80 -61.16 -38.55 86.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.406 -0.59 . . . . 1.74 109.406 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.33 -54.89 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 1.13 110.263 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -56.77 -51.33 69.32 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.015 -0.539 . . . . 1.05 111.047 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.644 ' SD ' HG13 ' A' ' 55' ' ' VAL . 1.6 ttp -60.27 -39.88 88.41 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.387 1.054 . . . . 1.24 110.41 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.5 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 10.4 ttm -64.03 -46.04 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 2.24 110.678 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.16 -29.72 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.12 0.486 . . . . 0.73 110.801 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.59 -19.64 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.802 -0.636 . . . . 1.73 110.936 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HB3' ' CG1' ' B' ' 7' ' ' VAL . 0.1 OUTLIER -114.91 -14.49 11.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.655 0.264 . . . . 1.49 111.276 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.5 ttm -55.13 -47.67 74.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.34 -0.615 . . . . 2.02 109.34 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -123.44 56.73 1.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.276 -0.875 . . . . 2.32 109.337 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.61 105.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.618 . . . . 1.41 110.825 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.7 p -131.5 5.54 4.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.097 -0.956 . . . . 1.88 109.039 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.0 43.06 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.161 -1.381 . . . . 1.78 108.114 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.408 ' HB3' ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -62.15 80.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.212 -1.358 . . . . 1.35 114.354 -178.052 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -96.7 -73.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 1.86 108.921 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.71 -22.01 18.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.544 -0.91 . . . . 2.7 108.544 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -57.84 -51.15 70.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.642 -1.163 . . . . 1.27 111.309 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 1.3 tp -64.14 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 2.16 110.658 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -70.77 -43.95 67.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.007 -0.542 . . . . 2.9 109.791 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -55.52 26.6 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.47 111.981 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.3 -24.52 65.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.542 0.21 . . . . 0.59 111.392 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.6 t80 -72.51 -32.89 66.52 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.208 -0.664 . . . . 1.01 109.208 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -83.1 -29.21 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 2.72 111.966 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.524 HG23 ' CB ' ' B' ' 5' ' ' CYS . 78.1 t -72.81 -30.67 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.85 110.146 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' HB2' HD13 ' A' ' 100' ' ' ILE . 13.1 m-85 -88.6 -40.09 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.682 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.43 94.32 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.43 -0.581 . . . . 0.8 109.43 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -87.4 -20.07 27.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 2.12 111.671 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -80.36 -18.84 47.9 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.198 -0.601 . . . . 0.67 110.763 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.22 61.82 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.983 -0.627 . . . . 0.72 112.374 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.491 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -97.78 -20.34 17.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.43 0.157 . . . . 0.86 111.321 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.28 60.72 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.623 -0.798 . . . . 0.6 113.592 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.491 ' HB2' HD22 ' A' ' 97' ' ' ASN . 39.3 m-85 -126.81 111.19 13.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 122.348 -0.501 . . . . 1.72 111.182 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 92' ' ' PHE . 52.6 mt -83.92 146.29 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.629 -0.714 . . . . 0.89 110.499 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 103' ' ' ALA . 97.5 p -159.01 -174.03 4.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.809 -0.178 . . . . 1.47 110.538 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.77 4.36 1.15 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.942 0.877 . . . . 1.37 110.916 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.55 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -79.55 -74.28 0.3 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.053 -1.431 . . . . 1.18 109.917 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -30.55 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 0.83 112.413 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.05 -34.4 74.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 1.0 110.619 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -65.63 -38.83 90.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 1.42 109.854 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.47 -54.89 21.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.449 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.95 -40.9 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.872 0.323 . . . . 0.73 111.872 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.29 88.9 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.038 0.446 . . . . 1.47 110.783 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.6 m -77.65 -32.21 53.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.523 -0.762 . . . . 0.75 110.551 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -70.14 -39.87 75.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.577 -0.738 . . . . 1.08 110.485 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.08 -33.16 75.13 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.364 0.602 . . . . 1.34 109.693 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.97 38.06 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.247 -0.888 . . . . 0.89 112.993 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.6 170.85 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.174 0.487 . . . . 1.61 110.184 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -87.75 12.68 12.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 1.54 111.121 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.28 111.89 19.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.24 0.543 . . . . 1.55 110.907 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -176.51 5.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.688 -0.687 . . . . 1.19 110.134 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -54.85 -52.33 63.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.601 0.593 . . . . 1.38 112.601 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.15 -29.77 69.57 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.143 -0.223 . . . . 2.33 110.717 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.8 -32.95 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.86 109.848 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -68.45 -40.96 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.603 -0.726 . . . . 1.01 109.566 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.88 -38.2 73.05 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.96 110.051 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.436 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 4.1 tp10 -63.17 -50.92 68.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.143 -0.48 . . . . 1.2 110.959 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.687 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.2 ttt -65.84 -36.61 83.94 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.501 -0.318 . . . . 1.33 110.723 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.72 -27.13 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.815 0.672 . . . . 1.23 112.815 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.436 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 14.3 mtm105 -88.2 18.29 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.385 0.883 . . . . 1.07 113.385 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -40.5 17.82 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.489 -0.56 . . . . 2.04 109.489 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.98 -12.8 22.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.49 -0.777 . . . . 1.31 111.181 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.6 105.01 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 0.87 110.574 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.3 mm -109.28 -1.82 9.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 1.12 110.481 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -103.78 -28.36 11.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.402 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.87 48.42 3.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.622 -0.799 . . . . 0.99 112.645 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -126.8 -12.56 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.653 0.263 . . . . 1.02 111.384 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.03 13.76 82.67 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.997 -0.621 . . . . 0.91 113.036 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.413 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 52.4 mt-30 -129.34 113.52 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.712 -0.477 . . . . 1.58 109.712 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 83.3 t -81.39 106.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.175 -0.466 . . . . 0.93 110.433 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -85.1 179.73 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.97 -0.292 . . . . 1.19 110.873 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -53.14 -55.41 24.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.838 -0.619 . . . . 1.49 111.482 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -52.99 -47.54 68.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 2.6 111.754 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 144' ' ' MET . 48.0 mt-10 -64.39 -38.3 90.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.955 -0.566 . . . . 0.67 111.306 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 5.2 t80 -71.72 -42.27 67.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 1.07 110.528 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.88 -48.83 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.381 -0.372 . . . . 0.96 111.563 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.99 -4.8 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.885 0.374 . . . . 1.73 111.456 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.541 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -110.92 -38.4 5.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 1.42 111.529 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.672 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -80.54 -48.23 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.621 -0.263 . . . . 2.06 111.208 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -74.13 -32.24 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.3 111.149 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 1.49 110.756 179.709 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.402 0.62 . . . . 2.97 109.491 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -57.1 8.11 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.686 -1.143 . . . . 1.88 111.777 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.777 ' SG ' HD22 ' A' ' 32' ' ' LEU . 65.5 m -60.31 -33.04 71.82 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.569 . . . . 0.67 111.43 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' A' ' 71' ' ' MET . 2.1 tp -77.02 -39.34 50.55 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.797 -0.183 . . . . 1.86 110.722 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.524 ' CB ' HG23 ' A' ' 91' ' ' VAL . 16.0 p -66.13 -23.66 66.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.734 -0.839 . . . . 0.7 108.734 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.702 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -69.01 -42.62 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.185 -1.413 . . . . 1.08 107.185 176.097 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.574 HG21 ' O ' ' B' ' 3' ' ' CYS . 14.5 t -61.71 -40.36 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.791 -0.64 . . . . 1.09 109.645 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.672 HG23 ' SD ' ' A' ' 145' ' ' MET . 0.9 OUTLIER -67.57 -45.77 74.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 1.04 110.003 178.273 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -60.63 -37.03 80.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.322 -0.622 . . . . 1.31 109.322 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -39.18 85.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.696 -0.684 . . . . 2.43 110.464 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -69.71 -43.3 72.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 1.84 109.847 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.0 t80 -64.66 -41.11 96.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.787 -0.642 . . . . 1.5 109.596 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.687 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -70.79 -25.22 62.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.864 . . . . 3.52 110.793 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -80.87 -25.19 37.83 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.278 -0.638 . . . . 1.52 109.278 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -18.11 62.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.54 -0.755 . . . . 1.6 109.704 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -26.96 68.41 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.73 -0.841 . . . . 2.65 108.73 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.5 76.44 5.0 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.713 -1.13 . . . . 4.01 109.492 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -144.55 -67.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.351 0.5 . . . . 3.44 112.351 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.867 0 CA-C-O 119.033 -0.508 . . . . 4.48 112.175 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 110.178 -0.304 . . . . 1.33 110.178 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.83 -37.64 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 1.97 111.321 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 2.2 mp0 -57.06 -50.77 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 1.98 110.176 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.78 -48.04 80.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.549 -0.75 . . . . 1.82 110.304 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 mm -50.19 -44.74 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 120.938 0.399 . . . . 1.3 110.308 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.692 -0.685 . . . . 0.94 110.835 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HZ1' ' B' ' 10' ' ' LYS . 50.2 mt-10 -66.26 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.517 -0.31 . . . . 1.57 110.628 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.19 -30.55 69.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.799 0.333 . . . . 2.21 110.58 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 20.0 ttpt -57.75 -38.67 75.78 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.245 -0.65 . . . . 2.07 109.245 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.432 ' OE2' ' HA ' ' A' ' 11' ' ' GLU . 30.1 mt-10 -69.17 -38.8 78.89 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.443 -0.799 . . . . 1.64 109.202 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.29 86.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.623 -0.717 . . . . 1.03 109.611 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -57.51 -42.9 83.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.206 -0.452 . . . . 1.64 110.274 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 m -65.99 -14.31 61.4 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.326 0.584 . . . . 0.87 110.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -94.03 -53.8 3.84 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.548 -0.751 . . . . 2.03 110.803 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.784 ' CE2' HD12 ' B' ' 6' ' ' ILE . 33.1 m-85 -64.01 -41.58 97.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.906 0.384 . . . . 0.66 111.181 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.92 133.38 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.94 -0.573 . . . . 0.54 110.783 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -129.91 19.1 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.95 111.154 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -126.6 -23.99 3.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.865 -0.334 . . . . 0.57 111.786 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.05 3.95 57.79 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.984 -0.627 . . . . 0.59 113.174 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -38.55 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.769 -0.254 . . . . 0.58 110.873 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.71 -23.76 23.35 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.674 -0.774 . . . . 0.74 113.551 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -89.55 138.54 31.37 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.038 0.447 . . . . 0.59 110.708 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 63' ' ' ILE . 1.1 mp -76.82 124.77 35.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.64 110.924 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -112.56 -178.91 3.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.895 -0.78 . . . . 0.47 108.895 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 -31.73 21.56 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.018 0.437 . . . . 0.85 111.179 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -75.19 -19.22 59.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 2.59 111.095 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -82.83 -53.89 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.457 0.473 . . . . 0.49 110.329 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.713 HD22 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -63.73 -31.92 73.25 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.433 0.458 . . . . 0.87 111.044 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.77 -31.23 71.04 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 121.0 -0.619 . . . . 0.5 112.618 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -61.67 -42.54 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.63 0.252 . . . . 0.81 110.939 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 39.6 t -61.49 -46.58 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 O-C-N 122.262 -0.273 . . . . 0.95 111.251 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.576 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 32.0 ttm -65.06 -15.34 62.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.147 0.499 . . . . 1.38 110.702 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' A' ' 34' ' ' THR . 13.1 ttp180 -77.2 -44.08 31.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.58 -0.737 . . . . 2.29 109.221 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.06 -13.87 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.64 -0.709 . . . . 1.01 111.242 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -85.14 4.36 34.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 0.96 110.444 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.49 24.42 67.97 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.89 112.319 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -124.88 168.0 13.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.154 -0.684 . . . . 1.44 109.154 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -158.34 94.09 1.97 Allowed Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.65 -0.42 . . . . 1.59 112.068 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 60.0 Cg_endo -84.5 149.8 11.57 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.562 2.175 . . . . 0.9 112.361 177.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.2 p -90.34 179.06 5.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.885 -0.598 . . . . 1.31 109.65 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -45.88 -59.26 2.92 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.044 0.387 . . . . 2.18 112.044 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.87 57.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.543 0.572 . . . . 0.82 112.543 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.34 -41.62 39.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.256 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.21 -34.68 75.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.92 111.134 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -33.7 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.36 -0.608 . . . . 1.53 109.36 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -55.67 -42.58 75.29 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.082 -0.963 . . . . 1.38 109.782 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.5 -39.83 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.101 -0.954 . . . . 1.97 110.078 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.18 -40.77 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.79 111.105 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -26.94 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.523 0.515 . . . . 1.72 111.639 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.99 -21.11 64.17 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.898 0.38 . . . . 2.84 110.704 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.38 -43.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.104 0.478 . . . . 1.31 110.551 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.34 122.16 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.59 111.603 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.87 -11.13 8.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.845 0.355 . . . . 0.77 110.609 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.564 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.07 -27.0 35.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.665 -0.414 . . . . 0.74 110.161 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 21.89 17.86 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.829 -0.7 . . . . 0.9 112.719 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.574 HD22 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -98.37 -28.95 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.001 0.429 . . . . 0.65 110.818 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.66 45.19 6.52 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.653 -0.784 . . . . 0.55 112.534 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.574 ' HB ' HD22 ' A' ' 60' ' ' ASN . 99.4 m -158.31 128.3 5.98 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.851 -0.205 . . . . 0.76 110.601 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.46 HD13 HG22 ' A' ' 27' ' ' ILE . 10.9 mt -67.52 96.52 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.602 -0.888 . . . . 1.08 108.602 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.8 p30 -100.78 -178.61 3.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.52 112.018 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.38 -50.15 29.09 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.174 -0.466 . . . . 1.38 111.773 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.72 -49.32 17.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.608 1.538 . . . . 0.7 111.837 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.93 -31.54 72.2 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.261 -0.427 . . . . 0.52 110.867 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.9 t80 -65.38 -37.04 85.81 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.541 0.526 . . . . 1.74 110.231 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.22 -56.88 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.542 . . . . 1.13 110.382 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -64.93 -37.09 86.48 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.841 -0.618 . . . . 1.05 111.172 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' B' ' 4' ' ' LEU . 7.4 ttp -64.54 -45.37 87.44 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.362 -0.381 . . . . 1.24 110.707 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ttm -65.33 -39.51 92.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.422 -0.354 . . . . 2.24 110.89 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.71 85.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.655 -0.248 . . . . 0.73 111.018 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HD3' ' OE2' ' A' ' 84' ' ' GLU . 3.3 ttm180 -62.17 -37.09 83.91 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.282 -0.417 . . . . 1.73 110.464 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.538 ' CE ' ' HG ' ' B' ' 4' ' ' LEU . 2.8 tppt? -90.16 -10.09 45.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.414 -0.514 . . . . 1.49 111.018 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' MET . . . . . 0.54 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 25.0 ttm -66.76 -48.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.971 0.415 . . . . 2.02 110.208 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . 0.54 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 43.8 mtmt -136.32 57.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 2.32 111.492 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.59 136.62 45.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.243 -0.28 . . . . 1.41 110.243 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 p -137.17 20.13 2.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.643 0.735 . . . . 1.88 110.356 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.55 -46.76 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.97 -1.014 . . . . 1.78 108.695 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m 55.33 53.01 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.733 1.382 . . . . 1.35 114.733 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.415 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . 4.9 tp10 -83.83 -76.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.035 -0.728 . . . . 1.86 109.035 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 82' ' ' GLU . 3.1 pm0 -90.79 -15.35 30.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.7 110.621 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE2' ' HD3' ' A' ' 74' ' ' ARG . 15.2 mm-40 -57.46 -60.47 3.6 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.809 -0.632 . . . . 1.27 111.958 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 24.6 mt -64.52 -31.27 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.381 -0.827 . . . . 2.16 110.974 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -65.33 -51.46 60.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 2.9 110.776 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.4 ' O ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.93 -50.34 70.99 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.975 -0.557 . . . . 1.47 112.456 179.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.05 64.57 Favored 'General case' 0 N--CA 1.457 -0.099 0 O-C-N 121.871 -0.518 . . . . 0.59 111.36 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.059 -0.719 . . . . 1.01 109.059 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.22 -23.51 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 2.72 111.671 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.672 HG23 ' SG ' ' B' ' 5' ' ' CYS . 63.0 t -80.48 -40.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 0.85 110.228 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -79.72 -42.47 24.57 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.54 -0.3 . . . . 0.54 110.791 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.63 85.61 6.0 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.8 110.999 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -64.69 -26.62 68.46 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.183 -0.917 . . . . 2.12 111.714 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -85.54 -24.73 27.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.33 -0.548 . . . . 0.67 110.973 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.16 25.54 66.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.879 -0.677 . . . . 0.72 112.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.58 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -86.92 -23.62 25.1 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.591 -0.359 . . . . 0.86 111.317 -179.726 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.74 8.46 37.12 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.732 -0.747 . . . . 0.6 113.099 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.58 ' HB2' HD22 ' A' ' 97' ' ' ASN . 20.4 m-85 -131.16 106.88 8.63 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 122.754 -0.263 . . . . 1.72 110.618 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.1 mt -86.1 139.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.89 110.411 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.537 ' C ' ' H ' ' A' ' 103' ' ' ALA . 25.8 p -150.33 -175.84 5.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.15 -0.315 . . . . 1.47 110.15 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.04 -0.85 3.49 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.177 0.989 . . . . 1.37 110.075 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.25 -76.02 0.11 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.534 -1.666 . . . . 1.18 109.005 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.05 -31.71 50.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.6 0.963 . . . . 0.83 113.6 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.31 -37.69 81.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.026 0.441 . . . . 1.0 111.248 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 106' ' ' ARG . 27.7 ttm180 -59.54 -36.49 76.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.699 -0.682 . . . . 1.42 110.697 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -68.48 -47.59 66.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.945 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.79 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.23 0.331 . . . . 0.73 110.589 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -38.26 71.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.094 0.473 . . . . 1.47 111.026 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -80.43 -28.82 37.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.696 0.76 . . . . 0.75 110.785 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -43.54 68.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.238 -0.892 . . . . 1.08 111.048 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -69.99 -33.33 71.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 1.34 110.147 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.11 46.05 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.815 -0.707 . . . . 0.89 112.605 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.15 -178.98 7.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.164 0.507 . . . . 1.61 110.324 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -96.44 34.9 1.55 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.366 -0.833 . . . . 1.54 110.838 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.38 120.58 37.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.996 0.427 . . . . 1.55 111.615 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 p -89.18 -170.54 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.749 -0.659 . . . . 1.19 110.168 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -56.95 13.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.31 0.485 . . . . 1.38 112.31 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.49 -26.37 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 2.33 111.274 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -75.7 -47.33 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.216 -0.447 . . . . 1.86 110.496 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.42 -43.94 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.454 0.645 . . . . 1.01 109.317 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -63.08 -45.4 92.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.931 -1.031 . . . . 0.96 110.544 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.549 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.8 tp10 -63.53 -44.56 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 1.2 111.053 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.793 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -62.9 -45.7 91.26 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.996 -0.547 . . . . 1.33 111.527 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -48.87 -25.99 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.596 0.962 . . . . 1.23 113.596 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.549 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 30.7 mtm105 -89.91 24.05 2.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.079 0.399 . . . . 1.07 112.079 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -92.19 -43.35 9.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.151 0.5 . . . . 2.04 109.88 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 127' ' ' GLU . . . -103.4 -12.66 17.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.97 -0.559 . . . . 1.31 110.693 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -78.11 89.04 4.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.632 . . . . 0.87 110.699 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.8 mm -80.54 -27.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.794 -0.639 . . . . 1.12 112.419 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -84.26 -12.34 54.88 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.242 -0.286 . . . . 1.02 111.482 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.2 42.44 94.28 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.818 -0.706 . . . . 0.99 112.396 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.49 -15.1 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.516 -0.402 . . . . 1.02 111.203 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.83 -4.93 63.66 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.347 -0.93 . . . . 0.91 113.182 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -121.14 119.76 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.201 0.5 . . . . 1.58 111.296 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.2 t -86.53 107.41 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.126 -0.694 . . . . 0.93 109.126 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -87.18 178.88 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.434 -0.348 . . . . 1.19 110.654 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG22 ' A' ' 142' ' ' VAL . 2.4 t80 -52.39 -47.29 66.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.49 112.328 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.11 -44.61 96.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 2.6 110.939 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.16 -32.22 73.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.837 -0.62 . . . . 0.67 111.592 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 30.0 t80 -77.96 -39.23 43.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.537 -0.301 . . . . 1.07 111.167 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 138' ' ' TYR . 90.6 t -60.76 -47.77 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.309 0.576 . . . . 0.96 110.968 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.5 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 75.5 mt-30 -67.13 -16.66 64.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.623 -0.717 . . . . 1.73 111.911 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.417 ' SD ' ' HB3' ' B' ' 15' ' ' GLN . 0.8 OUTLIER -97.89 -39.56 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.428 0.529 . . . . 1.42 112.428 -178.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.602 ' SD ' HG22 ' B' ' 8' ' ' THR . 17.6 ttp -87.09 -48.81 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.085 -0.646 . . . . 2.06 112.043 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.827 0.346 . . . . 1.3 111.059 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.049 -0.523 . . . . 1.49 110.45 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 121.715 0.769 . . . . 2.97 109.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . 0.413 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.08 -48.26 73.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.634 -1.166 . . . . 1.88 111.424 -179.564 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.731 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 59.6 m -63.5 -31.68 72.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.67 110.958 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.538 ' HG ' ' CE ' ' A' ' 75' ' ' LYS . 4.7 tp -78.17 -33.23 50.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 1.86 109.967 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.672 ' SG ' HG23 ' A' ' 91' ' ' VAL . 1.6 p -67.13 -27.55 67.41 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.133 -1.062 . . . . 0.7 108.133 178.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.784 HD12 ' CE2' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -68.15 -39.89 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.65 -1.241 . . . . 1.08 107.65 176.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.535 HG21 ' O ' ' B' ' 3' ' ' CYS . 10.9 t -63.62 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 N-CA-C 108.562 -0.903 . . . . 1.09 108.562 177.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.602 HG22 ' SD ' ' A' ' 145' ' ' MET . 4.3 m -69.4 -41.43 76.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.834 -0.621 . . . . 1.04 110.07 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -62.02 -35.91 79.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.875 -0.602 . . . . 1.31 109.828 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.46 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -72.01 -43.82 64.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.873 -0.603 . . . . 2.43 110.205 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 10.0 tmtt? -60.5 -40.82 92.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.451 0.643 . . . . 1.84 109.488 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.41 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 70.1 t80 -72.71 -31.6 65.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.229 -0.896 . . . . 1.5 110.07 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.793 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 16.5 ttp85 -87.07 -2.87 58.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.265 0.555 . . . . 3.52 110.705 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -102.78 -23.11 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.261 -0.882 . . . . 1.52 110.376 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' B' ' 18' ' ' ASP . 2.2 tp60 -79.19 -21.17 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.64 -1.164 . . . . 1.6 111.455 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -64.07 -24.72 67.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.051 0.453 . . . . 2.65 109.873 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -86.75 31.61 0.68 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.8 -0.636 . . . . 4.01 110.398 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' B' ' 15' ' ' GLN . 7.2 t70 -82.01 -53.83 5.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.83 0.678 . . . . 3.44 112.83 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.252 1.188 0 CA-C-O 119.131 -0.461 . . . . 4.48 111.26 -178.331 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 120.645 0.259 . . . . 1.33 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -56.4 -39.79 73.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 1.97 110.7 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 4.7 mp0 -57.53 -43.67 84.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.813 -0.63 . . . . 1.98 111.426 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.08 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.616 -0.513 . . . . 1.82 109.616 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.9 mm -54.56 -42.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.277 -0.42 . . . . 1.3 110.643 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -63.78 -38.36 90.82 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.241 -0.436 . . . . 0.94 110.177 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 60.2 mt-10 -64.5 -46.03 84.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 1.57 109.873 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.86 -26.45 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 2.21 110.621 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 5.9 ttpt -59.77 -41.74 91.75 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.291 -0.633 . . . . 2.07 109.291 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.0 -41.05 95.75 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.068 -0.716 . . . . 1.64 109.068 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.51 -48.68 78.49 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-N 115.646 -0.707 . . . . 1.03 110.47 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -54.18 -42.61 69.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.193 0.52 . . . . 1.64 109.786 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 m -65.77 -28.05 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.42 -0.809 . . . . 0.87 111.843 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp -88.07 -39.08 14.9 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.315 -0.554 . . . . 2.03 111.464 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.779 ' CE2' HD12 ' B' ' 6' ' ' ILE . 24.1 m-85 -69.72 -40.68 76.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.543 0.611 . . . . 0.66 110.409 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.24 139.16 37.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.575 -0.739 . . . . 0.54 110.754 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -138.32 26.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.95 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -130.41 -27.02 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.85 -0.34 . . . . 0.57 111.564 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.41 8.01 56.56 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.271 -0.966 . . . . 0.59 111.788 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -32.5 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.693 0.283 . . . . 0.58 110.464 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.03 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.71 -0.757 . . . . 0.74 113.631 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.75 152.58 24.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.034 0.417 . . . . 0.59 111.45 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.4 mp -91.33 122.35 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.64 110.903 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -103.18 175.54 5.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.097 -1.075 . . . . 0.47 108.097 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -29.57 31.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.343 0.592 . . . . 0.85 109.633 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.7 -28.65 61.84 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.396 -0.82 . . . . 2.59 111.93 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 28.9 mt-10 -71.86 -51.89 20.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.122 0.487 . . . . 0.49 110.661 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.817 HD23 ' SG ' ' B' ' 3' ' ' CYS . 8.5 mp -69.01 -26.68 65.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.655 -0.702 . . . . 0.87 111.251 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.58 -39.91 97.12 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.01 -0.614 . . . . 0.5 111.754 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -59.84 -42.48 93.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.596 -0.302 . . . . 0.81 110.886 179.351 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.0 -37.01 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.956 0.408 . . . . 0.95 110.144 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 ttm -67.03 -15.39 63.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.439 0.638 . . . . 1.38 110.245 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -85.14 -36.41 21.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.018 -0.992 . . . . 2.29 109.35 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.6 -18.86 65.64 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.723 -0.671 . . . . 1.01 110.242 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.529 ' O ' ' HE2' ' A' ' 94' ' ' LYS . 89.7 mt -78.78 -0.21 29.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.96 111.294 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.72 23.2 56.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.857 -0.687 . . . . 0.89 112.598 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -129.84 139.24 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.161 -0.311 . . . . 1.44 110.161 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -119.43 94.59 48.56 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-O 120.737 0.303 . . . . 1.59 111.377 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.45 149.45 7.65 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.305 2.67 . . . . 0.9 111.736 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 p -96.88 -179.56 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.255 -0.278 . . . . 1.31 110.96 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.03 -30.52 15.63 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.531 0.567 . . . . 2.18 112.531 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.99 -50.29 29.97 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.425 0.631 . . . . 0.82 110.33 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.76 -39.55 73.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.043 -0.98 . . . . 1.57 110.971 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.437 ' O ' HG12 ' A' ' 52' ' ' ILE . 42.0 mt -64.26 -33.46 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.381 0.512 . . . . 0.92 112.381 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.13 -28.73 27.26 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.628 -0.878 . . . . 1.53 108.628 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.78 -42.74 97.69 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.857 -1.065 . . . . 1.38 110.471 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 19.2 mmt -58.73 -42.15 88.08 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.808 -0.633 . . . . 1.97 109.938 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 48' ' ' LEU . 27.7 mm -69.8 -37.47 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.364 -0.835 . . . . 0.79 110.694 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.61 -33.0 67.77 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.385 -0.371 . . . . 1.72 111.234 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.06 -33.98 76.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.233 0.54 . . . . 2.84 109.666 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . 0.525 HG11 ' SD ' ' A' ' 71' ' ' MET . 90.6 t -87.26 -39.84 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 1.31 110.564 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.39 137.6 56.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.202 -0.908 . . . . 0.59 112.498 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.16 -13.3 2.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.262 -0.881 . . . . 0.77 110.558 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -85.92 -21.5 27.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.74 110.424 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.06 29.05 13.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.99 -0.624 . . . . 0.9 112.759 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.518 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -104.43 -28.4 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.211 0.506 . . . . 0.65 111.28 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.19 43.39 7.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.493 -0.861 . . . . 0.55 112.297 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . 0.469 ' HB ' HD22 ' A' ' 60' ' ' ASN . 90.1 m -157.24 129.21 7.16 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 122.351 0.26 . . . . 0.76 110.328 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.442 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 11.3 mt -70.15 98.18 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 115.908 -0.587 . . . . 1.08 109.6 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.49 -178.71 3.74 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.968 -0.56 . . . . 0.52 111.645 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.444 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.4 t80 -68.71 -50.14 25.7 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.278 0.473 . . . . 1.38 112.278 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 72.4 Cg_exo -48.96 -50.9 11.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.822 1.681 . . . . 0.7 112.486 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -71.28 -25.7 62.56 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.684 -0.235 . . . . 0.52 111.21 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.96 -40.15 95.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 1.74 109.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.59 -53.08 59.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.13 110.09 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -44.44 93.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.333 -0.394 . . . . 1.05 111.293 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.525 ' SD ' HG11 ' A' ' 55' ' ' VAL . 5.5 ttp -60.54 -47.15 87.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 1.24 110.974 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' MET . . . . . 0.601 ' SD ' HG12 ' B' ' 7' ' ' VAL . 3.8 tmm? -66.48 -46.41 76.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.974 -0.557 . . . . 2.24 110.952 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.95 64.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.82 0.343 . . . . 0.73 111.39 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -58.85 -37.74 77.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.526 -0.761 . . . . 1.73 111.204 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 tppt? -93.29 -28.66 16.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.658 0.266 . . . . 1.49 111.22 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ttm -51.04 -41.12 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 2.02 110.195 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.82 46.77 2.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.37 -0.832 . . . . 2.32 109.59 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 56.8 t0 -71.86 99.15 2.14 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.125 -0.943 . . . . 1.41 111.094 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.0 p -140.6 17.62 2.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.214 1.007 . . . . 1.88 108.523 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.26 30.11 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.996 -1.456 . . . . 1.78 108.111 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -36.71 104.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 113.576 -1.647 . . . . 1.35 114.307 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -98.24 -68.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 1.86 109.42 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -106.33 -12.97 15.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.352 -0.84 . . . . 2.7 109.812 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.2 -49.23 64.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.047 -0.979 . . . . 1.27 112.181 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.641 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 6.9 mt -56.91 -41.99 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 O-C-N 123.256 0.348 . . . . 2.16 110.978 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -52.39 42.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.28 0.363 . . . . 2.9 111.166 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -55.81 17.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.117 -0.492 . . . . 1.47 111.667 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.84 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.077 -0.39 . . . . 0.59 111.452 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -77.26 -37.16 53.62 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 120.937 -0.305 . . . . 1.01 110.679 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -71.98 -19.42 61.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 2.72 110.494 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.806 HG23 ' SG ' ' B' ' 5' ' ' CYS . 68.5 t -86.34 -36.55 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.877 -0.601 . . . . 0.85 110.182 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -82.91 -34.85 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.545 -0.298 . . . . 0.54 110.828 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.23 88.58 6.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.172 0.511 . . . . 0.8 109.935 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.529 ' HE2' ' O ' ' A' ' 39' ' ' LEU . 27.8 tttm -75.88 -23.59 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.706 . . . . 2.12 111.25 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -88.38 -17.06 31.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.436 -0.347 . . . . 0.67 111.835 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.12 36.12 92.56 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.442 -0.885 . . . . 0.72 111.967 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 99' ' ' TYR . 9.7 p-10 -98.74 -8.95 25.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.862 0.363 . . . . 0.86 110.357 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 19.13 67.26 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.816 -0.629 . . . . 0.6 112.78 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.413 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 39.7 m-85 -138.13 113.41 9.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.782 0.325 . . . . 1.72 111.271 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -94.81 133.37 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.229 -0.656 . . . . 0.89 109.229 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.635 ' C ' ' H ' ' A' ' 103' ' ' ALA . 12.9 p -147.07 -163.67 1.82 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.023 -0.732 . . . . 1.47 109.023 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.22 19.93 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.302 1.049 . . . . 1.37 110.25 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.635 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -88.88 -81.87 0.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.343 -1.753 . . . . 1.18 110.741 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 -21.29 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.839 -0.619 . . . . 0.83 111.929 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.57 -43.97 96.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.897 0.38 . . . . 1.0 110.243 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.3 ttm105 -63.74 -34.97 79.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 1.42 110.221 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -64.02 -52.37 59.82 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.29 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.28 -46.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.482 -0.326 . . . . 0.73 111.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -41.91 64.16 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.813 0.301 . . . . 1.47 111.813 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 m -79.41 -28.54 41.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.612 0.244 . . . . 0.75 111.465 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.55 -35.23 77.14 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.759 0.314 . . . . 1.08 111.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.65 -21.75 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.913 0.387 . . . . 1.34 110.624 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.16 27.0 29.42 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.053 -0.594 . . . . 0.89 112.225 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -87.66 173.76 8.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.108 0.48 . . . . 1.61 111.445 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.461 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 2.0 mptt -99.11 77.07 2.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.743 -0.662 . . . . 1.54 111.265 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.07 126.62 30.49 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.893 -0.41 . . . . 1.55 109.893 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.438 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -94.05 176.19 6.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.345 -0.388 . . . . 1.19 110.104 179.34 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.36 -37.54 75.41 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.852 -0.796 . . . . 1.38 108.852 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.94 -35.21 78.03 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.084 -0.962 . . . . 2.33 110.352 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 117' ' ' THR . 4.3 mm-40 -69.88 -41.19 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.362 -0.381 . . . . 1.86 110.085 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.579 ' O ' ' HB ' ' A' ' 125' ' ' ILE . 79.8 t -59.3 -42.32 86.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.022 -0.535 . . . . 1.01 110.287 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 125' ' ' ILE . 11.2 t70 -71.17 -37.24 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.96 111.114 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 3.1 tp10 -64.49 -44.75 90.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 1.2 110.964 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.701 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 22.1 ttt -73.02 -39.28 66.14 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.715 0.293 . . . . 1.33 110.738 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . 0.579 ' HB ' ' O ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -53.03 -18.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 113.303 0.853 . . . . 1.23 113.303 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.586 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 13.2 mtm105 -94.31 15.6 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.903 -0.498 . . . . 1.07 111.444 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.479 ' CD ' ' HH ' ' B' ' 12' ' ' TYR . 0.0 OUTLIER -79.41 -40.77 29.23 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.549 -0.538 . . . . 2.04 109.549 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.81 -21.04 13.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.955 -0.566 . . . . 1.31 110.896 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 91.13 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.116 0.484 . . . . 0.87 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.2 mm -86.03 -32.32 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.536 -0.756 . . . . 1.12 111.274 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -70.33 -28.25 65.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.804 -0.634 . . . . 1.02 111.135 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.09 41.18 10.56 Favored Glycine 0 CA--C 1.508 -0.406 0 N-CA-C 111.236 -0.745 . . . . 0.99 111.236 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.06 -11.77 13.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.265 . . . . 1.02 111.337 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.66 13.78 66.69 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 121.225 -0.512 . . . . 0.91 113.66 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . 0.501 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 39.5 mt-30 -130.75 107.54 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.002 0.401 . . . . 1.58 110.946 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.413 HG21 HD12 ' A' ' 125' ' ' ILE . 66.7 t -76.46 103.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.847 -0.797 . . . . 0.93 108.847 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -82.55 179.48 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.709 -0.397 . . . . 1.19 110.441 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.16 -45.99 79.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.49 111.361 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.88 -46.19 89.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.109 0.481 . . . . 2.6 110.91 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.59 -39.22 93.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.586 . . . . 0.67 110.061 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.408 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 54.3 t80 -67.6 -48.15 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 1.07 111.415 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.88 -41.75 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.321 -0.399 . . . . 0.96 111.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.74 -12.84 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 1.73 111.975 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.588 ' SD ' ' HB3' ' B' ' 15' ' ' GLN . 1.9 tmm? -109.69 -36.78 5.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.361 -0.381 . . . . 1.42 111.689 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.575 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -82.24 -39.76 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.047 0.388 . . . . 2.06 112.047 -178.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 m -99.5 -10.59 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.434 . . . . 1.3 111.8 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.561 -0.29 . . . . 1.49 110.758 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.459 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.273 0.559 . . . . 2.97 110.355 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . 0.412 ' CG ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -16.23 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.471 2.026 . . . . 1.88 116.471 -178.507 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.817 ' SG ' HD23 ' A' ' 32' ' ' LEU . 99.7 m -63.33 -38.71 92.22 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.208 -0.933 . . . . 0.67 112.905 -177.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.495 ' HB2' ' SD ' ' A' ' 71' ' ' MET . 9.9 tp -70.49 -35.3 73.17 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 111.611 0.226 . . . . 1.86 111.611 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.806 ' SG ' HG23 ' A' ' 91' ' ' VAL . 6.7 p -67.76 -27.24 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.778 -0.823 . . . . 0.7 108.778 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.779 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -65.49 -39.98 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.403 -1.332 . . . . 1.08 107.403 176.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.601 HG12 ' SD ' ' A' ' 72' ' ' MET . 23.3 t -65.68 -40.84 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.951 -1.022 . . . . 1.09 109.427 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.575 HG23 ' SD ' ' A' ' 145' ' ' MET . 1.5 m -67.23 -39.93 86.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.982 0.42 . . . . 1.04 110.354 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -61.88 -36.04 80.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.469 0.652 . . . . 1.31 109.812 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.407 ' HZ3' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -71.0 -39.99 72.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.511 -0.768 . . . . 2.43 109.634 179.443 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' HE1' ' A' ' 145' ' ' MET . 8.8 tmtt? -62.19 -47.91 82.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.84 -0.8 . . . . 1.84 108.84 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.479 ' HH ' ' CD ' ' A' ' 127' ' ' GLU . 81.9 t80 -60.49 -41.54 94.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.103 -0.953 . . . . 1.5 110.343 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.701 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 10.5 ttt180 -77.44 -10.42 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 3.52 111.213 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -94.5 -19.94 20.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.713 0.768 . . . . 1.52 108.986 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.588 ' HB3' ' SD ' ' A' ' 144' ' ' MET . 0.1 OUTLIER -84.06 -17.2 41.1 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.902 -1.045 . . . . 1.6 111.054 -179.032 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -46.94 85.5 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.451 -0.574 . . . . 2.65 109.451 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.82 77.32 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.837 0.827 . . . . 4.01 109.921 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -128.31 -35.74 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.788 -1.097 . . . . 3.44 109.694 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.609 -0.71 . . . . 4.48 109.97 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.311 0 CA-C-O 121.145 0.498 . . . . 1.33 111.064 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.21 -41.01 83.1 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.635 -0.711 . . . . 1.97 111.368 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.05 -49.12 74.63 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.127 -0.694 . . . . 1.98 109.127 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.82 -48.48 81.53 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.49 -0.777 . . . . 1.82 110.146 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.9 -38.88 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 1.3 110.695 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.88 60.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.219 -0.446 . . . . 0.94 110.77 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.574 ' CD ' ' HZ1' ' B' ' 10' ' ' LYS . 54.7 mt-10 -63.46 -52.25 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.173 0.511 . . . . 1.57 110.359 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -59.83 -29.44 68.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 2.21 111.673 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 25.8 ttpt -60.5 -41.98 95.41 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.269 0.557 . . . . 2.07 110.309 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.08 -41.0 99.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.106 -0.702 . . . . 1.64 109.106 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -47.24 85.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.368 -0.833 . . . . 1.03 110.09 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.29 -42.13 73.21 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.065 0.46 . . . . 1.64 109.996 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -68.9 -15.11 63.4 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.925 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.97 -48.15 7.64 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 109.301 -0.629 . . . . 2.03 109.301 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.737 ' CE2' HD13 ' B' ' 6' ' ' ILE . 27.8 m-85 -68.4 -44.13 75.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.281 -0.418 . . . . 0.66 110.689 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -80.07 138.66 37.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.54 111.266 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -137.73 -6.83 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.824 0.305 . . . . 0.95 111.824 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -96.29 -13.31 23.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.642 -0.423 . . . . 0.57 110.549 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.71 80.88 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.937 -0.649 . . . . 0.59 112.433 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -30.34 26.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.981 0.419 . . . . 0.58 109.937 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.11 -21.8 42.99 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.903 -0.59 . . . . 0.74 113.329 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.1 140.55 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 0.59 111.241 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.608 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.77 127.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.741 . . . . 0.64 110.384 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -116.86 178.35 4.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.567 -0.531 . . . . 0.47 109.567 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -83.68 -28.7 28.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.061 0.458 . . . . 0.85 110.402 -179.186 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 30' ' ' LYS . 6.8 tmtt? -78.32 -27.94 47.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.176 -0.465 . . . . 2.59 110.926 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.0 mt-10 -75.54 -54.83 6.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 122.328 -0.233 . . . . 0.49 110.851 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.746 HD22 ' SG ' ' B' ' 3' ' ' CYS . 8.6 mp -60.74 -37.56 82.18 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.188 0.518 . . . . 0.87 111.195 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.08 -35.5 64.68 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.6 -0.727 . . . . 0.5 111.641 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.5 m -60.56 -46.32 90.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.86 0.362 . . . . 0.81 110.043 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 11.0 t -66.72 -41.64 88.31 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 121.669 -0.644 . . . . 0.95 110.843 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.7 ttm -68.22 -11.13 58.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.984 -1.007 . . . . 1.38 111.01 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -85.88 -42.73 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.478 -0.564 . . . . 2.29 109.478 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -15.05 61.96 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.746 -0.661 . . . . 1.01 110.062 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 17.7 mt -69.3 -14.65 63.06 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.857 -0.611 . . . . 0.96 110.681 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.515 ' HA3' ' HE2' ' A' ' 94' ' ' LYS . . . 98.87 17.9 26.57 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.286 -0.483 . . . . 0.89 112.695 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.57 156.68 43.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.763 0.316 . . . . 1.44 110.422 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -128.5 106.99 19.04 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.392 -0.367 . . . . 1.59 110.77 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -91.48 138.5 2.18 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.657 2.238 . . . . 0.9 113.057 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 p -87.25 176.01 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 1.31 110.031 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -52.78 -38.25 60.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.919 0.39 . . . . 2.18 110.717 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.22 76.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.82 110.708 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -41.42 71.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.567 0.699 . . . . 1.57 110.14 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 23.3 mt -63.89 -23.8 67.49 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.44 -0.8 . . . . 0.92 111.22 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.466 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -88.01 -37.53 16.26 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.101 -0.703 . . . . 1.53 109.101 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.25 -42.61 95.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.43 -1.259 . . . . 1.38 110.483 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 10.6 mmt -63.59 -51.76 63.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.705 -0.68 . . . . 1.97 111.197 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.45 -38.42 81.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.887 -0.597 . . . . 0.79 110.532 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -52.6 -35.46 54.34 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 1.72 111.905 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.42 -36.58 73.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.96 -0.564 . . . . 2.84 111.16 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.59 -43.83 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-N 116.105 -0.498 . . . . 1.31 111.205 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 12.3 t70 -68.3 103.29 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.113 0.483 . . . . 0.59 111.26 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.11 -5.15 14.81 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.53 0.681 . . . . 0.77 110.032 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.42 28.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.151 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 50.28 4.46 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 116.135 -0.484 . . . . 0.9 112.556 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.65 -25.98 3.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.741 0.305 . . . . 0.65 110.407 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.41 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.35 40.86 7.67 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.999 -0.619 . . . . 0.55 112.062 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 m -155.25 130.28 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.477 0.18 . . . . 0.76 110.915 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.608 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 16.3 mt -77.21 95.2 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.383 -0.969 . . . . 1.08 108.383 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.11 177.61 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.52 111.184 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -50.63 78.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 112.942 0.719 . . . . 1.38 112.942 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.06 -52.32 9.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.059 1.839 . . . . 0.7 112.157 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.17 -28.38 68.06 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 121.165 0.507 . . . . 0.52 110.134 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -63.92 -36.17 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 1.74 110.215 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 mt -70.54 -53.5 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.741 -0.663 . . . . 1.13 109.433 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -56.14 -49.31 74.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.963 -1.017 . . . . 1.05 110.909 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' MET . . . . . 0.537 ' CG ' HD23 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -62.9 -39.43 94.5 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.23 -0.895 . . . . 1.24 111.567 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 ttm -67.57 -43.59 80.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.242 -0.436 . . . . 2.24 110.421 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.93 63.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.64 0.733 . . . . 0.73 109.923 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -79.2 -2.14 39.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.277 -0.874 . . . . 1.73 111.309 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HE3' ' CD1' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -129.14 -9.23 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.184 0.516 . . . . 1.49 111.735 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.0 ttm -72.05 -40.18 68.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.155 0.502 . . . . 2.02 109.857 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -142.46 54.5 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.99 -0.55 . . . . 2.32 110.298 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASP . . . . . 0.409 ' HB3' ' HE1' ' A' ' 145' ' ' MET . 15.3 t0 -68.81 117.7 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.109 0.48 . . . . 1.41 111.076 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.6 p -130.55 11.63 5.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.72 0.772 . . . . 1.88 109.001 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.06 20.75 8.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.023 -0.99 . . . . 1.78 109.566 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' SER . . . . . 0.478 ' HB3' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -38.66 103.96 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.939 1.829 . . . . 1.35 115.939 -177.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.25 -69.47 0.81 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.705 -1.22 . . . . 1.86 107.705 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -110.99 -7.04 14.57 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 109.268 -0.642 . . . . 2.7 109.268 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.69 -58.14 9.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.74 . . . . 1.27 111.835 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ILE . . . . . 0.606 ' CD1' ' HA ' ' A' ' 142' ' ' VAL . 6.3 mt -63.1 -31.18 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.827 -0.624 . . . . 2.16 110.02 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HD3' ' OH ' ' A' ' 138' ' ' TYR . 3.2 tpt180 -65.59 -44.65 85.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.259 -0.645 . . . . 2.9 109.259 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -50.18 -53.71 25.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.893 -0.594 . . . . 1.47 110.743 178.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.97 -24.11 61.54 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.25 0.463 . . . . 0.59 112.25 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.3 t80 -72.13 -39.38 68.88 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.252 -1.018 . . . . 1.01 108.252 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -28.81 63.1 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.858 -1.065 . . . . 2.72 110.54 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.779 HG23 ' SG ' ' B' ' 5' ' ' CYS . 32.3 t -73.74 -40.31 53.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.342 -0.39 . . . . 0.85 110.828 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.54 -36.47 38.33 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.54 110.647 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.19 89.46 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.954 -0.566 . . . . 0.8 109.517 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LYS . . . . . 0.515 ' HE2' ' HA3' ' A' ' 40' ' ' GLY . 23.6 tttm -71.6 -37.62 70.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 2.12 112.893 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -70.83 -12.8 61.76 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.8 0.296 . . . . 0.67 111.8 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.93 24.27 71.47 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.048 -0.596 . . . . 0.72 112.53 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . 0.561 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -85.55 -21.79 28.4 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.648 0.261 . . . . 0.86 110.545 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.91 30.36 8.99 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.317 -0.944 . . . . 0.6 112.964 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 97' ' ' ASN . 13.9 m-85 -150.62 111.96 4.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.439 0.638 . . . . 1.72 111.359 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -87.41 133.86 29.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.264 -0.88 . . . . 0.89 110.987 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.09 -173.67 4.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.685 -0.857 . . . . 1.47 108.685 179.026 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.96 5.74 3.1 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 122.631 1.205 . . . . 1.37 109.387 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ALA . . . . . 0.595 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.67 -74.62 0.15 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 112.955 -1.929 . . . . 1.18 108.223 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -88.41 -21.25 24.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.44 0.904 . . . . 0.83 113.44 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.07 -41.26 92.03 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 120.096 -0.642 . . . . 1.0 109.374 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -58.5 -45.64 88.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.857 -0.61 . . . . 1.42 110.098 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.77 -50.16 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.403 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 104' ' ' GLU . 3.2 t -69.59 -39.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.833 0.308 . . . . 0.73 111.833 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' MET . . . . . 0.412 ' HA ' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.47 -46.41 86.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.452 0.168 . . . . 1.47 111.08 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -72.93 -27.6 61.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.339 -0.391 . . . . 0.75 110.948 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -39.11 68.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.829 0.307 . . . . 1.08 111.829 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.7 -10.91 60.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.622 0.249 . . . . 1.34 111.67 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 36.05 30.54 Favored Glycine 0 CA--C 1.507 -0.439 0 C-N-CA 120.659 -0.781 . . . . 0.89 112.141 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -87.23 166.47 14.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.165 0.507 . . . . 1.61 111.045 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HD2' ' OE1' ' A' ' 114' ' ' GLU . 0.6 OUTLIER -93.97 64.79 3.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.516 -0.765 . . . . 1.54 110.255 -179.309 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 114' ' ' GLU . 5.2 mp -138.11 125.49 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 1.55 111.849 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -92.66 -176.49 4.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 1.19 110.279 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -47.03 79.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.895 0.331 . . . . 1.38 111.895 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -68.91 -23.38 64.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.355 -0.384 . . . . 2.33 111.478 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.81 -33.5 66.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.59 0.709 . . . . 1.86 109.093 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -65.05 -44.09 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 1.01 109.425 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -47.09 85.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.502 -0.555 . . . . 0.96 109.502 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 16.9 tp10 -56.83 -48.96 76.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.836 -0.62 . . . . 1.2 111.302 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' MET . . . . . 0.775 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.0 ttt -65.19 -45.92 82.87 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.23 -0.441 . . . . 1.33 111.352 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.54 -28.79 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 112.345 0.498 . . . . 1.23 112.345 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' ARG . . . . . 0.473 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 23.8 mtm105 -85.22 19.55 2.21 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.639 0.607 . . . . 1.07 112.639 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' GLU . . . . . 0.504 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -94.76 -48.89 5.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.655 -0.418 . . . . 2.04 110.852 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ALA . . . . . 0.504 ' N ' ' HG2' ' A' ' 127' ' ' GLU . . . -91.87 -26.72 18.35 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.341 -0.39 . . . . 1.31 110.787 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.61 108.53 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.569 0.543 . . . . 0.87 109.686 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.2 mm -102.27 -30.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 1.12 111.926 -177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 133' ' ' ASP . 6.2 p-10 -79.81 -11.6 59.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 1.02 109.298 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 59.32 7.23 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.99 113.381 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ASP . . . . . 0.485 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 2.5 p-10 -118.54 -5.71 10.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.752 0.276 . . . . 1.02 110.732 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.55 -1.33 78.81 Favored Glycine 0 N--CA 1.46 0.265 0 C-N-CA 120.94 -0.647 . . . . 0.91 113.136 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.09 141.71 51.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.028 0.442 . . . . 1.58 110.851 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' VAL . . . . . 0.423 HG23 ' OH ' ' B' ' 12' ' ' TYR . 58.3 t -99.66 113.14 34.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.843 -0.799 . . . . 0.93 108.843 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -86.72 -179.99 6.67 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.465 -0.494 . . . . 1.19 110.848 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' TYR . . . . . 0.511 ' O ' HG22 ' A' ' 142' ' ' VAL . 1.9 t80 -55.99 -50.21 71.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 1.49 112.289 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.77 -37.26 84.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.336 0.495 . . . . 2.6 112.336 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.092 0.472 . . . . 0.67 109.868 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 18.7 t80 -71.61 -39.69 70.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.971 -0.559 . . . . 1.07 110.347 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' VAL . . . . . 0.606 ' HA ' ' CD1' ' A' ' 85' ' ' ILE . 32.5 t -52.09 -51.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.502 0.668 . . . . 0.96 110.869 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.55 -44.01 95.4 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.224 -0.898 . . . . 1.73 111.2 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' MET . . . . . 0.484 ' HE3' ' CE1' ' B' ' 12' ' ' TYR . 2.3 mmm -62.72 -36.62 83.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.887 -0.597 . . . . 1.42 111.922 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . 0.59 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -75.33 -39.78 59.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 2.06 110.215 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 90.4 m -66.78 -58.36 5.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.071 -0.513 . . . . 1.3 111.996 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.522 . . . . 1.49 111.329 -179.698 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.884 -0.784 . . . . 2.97 108.884 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ASP . . . . . 0.506 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -28.16 -72.31 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 115.687 1.736 . . . . 1.88 115.687 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' CYS . . . . . 0.746 ' SG ' HD22 ' A' ' 32' ' ' LEU . 79.1 m -65.7 -26.76 67.92 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.88 0.696 . . . . 0.67 112.88 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.537 HD23 ' CG ' ' A' ' 71' ' ' MET . 6.4 tp -81.5 -34.61 31.17 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.07 0.548 . . . . 1.86 110.411 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' CYS . . . . . 0.779 ' SG ' HG23 ' A' ' 91' ' ' VAL . 16.8 p -69.62 -25.31 63.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.859 -1.163 . . . . 0.7 107.859 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ILE . . . . . 0.737 HD13 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.14 -43.32 95.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 106.999 -1.482 . . . . 1.08 106.999 176.039 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 75' ' ' LYS . 23.5 t -61.08 -43.89 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.201 -0.909 . . . . 1.09 109.67 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' THR . . . . . 0.59 HG22 ' SD ' ' A' ' 145' ' ' MET . 8.3 m -63.67 -43.51 96.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.603 -0.517 . . . . 1.04 109.603 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 49.5 m -58.52 -37.74 76.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.367 0.603 . . . . 1.31 109.786 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LYS . . . . . 0.574 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -70.38 -40.99 73.66 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.035 -0.53 . . . . 2.43 110.762 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.9 -45.17 82.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.96 -0.756 . . . . 1.84 108.96 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 79.9 t80 -63.52 -44.09 95.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 1.5 110.626 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . 0.775 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 8.2 ttp85 -72.5 -20.23 61.4 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.767 -0.651 . . . . 3.52 111.24 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -91.47 -14.38 30.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.19 0.519 . . . . 1.52 110.642 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' B' ' 15' ' ' GLN . 1.7 tp60 -76.38 -23.77 54.1 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.45 -0.795 . . . . 1.6 110.745 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -23.91 67.48 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.36 0.6 . . . . 2.65 109.685 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -73.87 72.65 1.58 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.659 0.742 . . . . 4.01 109.834 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -137.9 -43.64 0.52 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.65 -0.705 . . . . 3.44 110.089 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.078 -0.965 . . . . 4.48 108.987 177.878 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 19.1 tp . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.128 0.489 . . . . 2.12 110.963 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.96 134.03 55.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.304 -0.862 . . . . 1.33 111.939 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -59.71 -33.74 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.754 -0.657 . . . . 1.97 110.754 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.613 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 3.1 mp0 -60.98 -45.83 93.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.177 -0.675 . . . . 1.98 109.177 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.46 -46.86 86.56 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.86 -0.609 . . . . 1.82 109.475 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -51.72 -44.84 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.514 -0.312 . . . . 1.3 111.27 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.66 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.94 110.675 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.613 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 75.3 mt-10 -73.46 -47.73 39.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 1.57 109.953 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.16 -28.45 67.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.095 0.474 . . . . 2.21 110.203 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.11 -38.13 75.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.897 -0.779 . . . . 2.07 108.897 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.57 -46.05 77.29 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.713 -0.676 . . . . 1.64 110.361 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.627 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.75 -51.43 70.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.21 -0.45 . . . . 1.03 111.117 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.448 ' HZ ' ' O ' ' A' ' 25' ' ' GLY . 43.7 t80 -55.44 -35.55 65.56 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.236 -0.893 . . . . 1.64 110.128 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.1 m -69.24 -23.82 63.92 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 124.156 0.91 . . . . 0.87 112.106 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.627 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -89.24 -35.58 16.1 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 119.818 -0.753 . . . . 2.03 111.156 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.786 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -69.41 -38.28 77.86 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 118.039 0.382 . . . . 0.66 110.806 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -81.49 132.62 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.876 0.369 . . . . 0.54 110.997 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -133.8 20.8 3.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.95 111.609 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -128.51 -17.38 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.527 -0.306 . . . . 0.57 111.76 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.36 69.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.006 -0.616 . . . . 0.59 112.369 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -35.61 16.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.772 0.32 . . . . 0.58 110.524 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HZ ' ' A' ' 16' ' ' PHE . . . 100.24 15.65 29.74 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.413 -0.898 . . . . 0.74 113.291 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -133.04 142.47 48.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.884 -0.413 . . . . 0.59 109.884 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.558 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.7 mt -81.46 124.31 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.064 -0.347 . . . . 0.64 110.064 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -110.55 177.42 4.69 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.837 0.351 . . . . 0.47 110.337 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -82.69 -32.63 27.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.365 0.602 . . . . 0.85 110.195 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -69.46 -33.5 73.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.756 -0.656 . . . . 2.59 111.682 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -72.84 -56.26 5.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.774 0.321 . . . . 0.49 110.615 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.753 HD22 ' SG ' ' B' ' 3' ' ' CYS . 6.5 mp -64.62 -35.85 82.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.87 111.254 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.6 72.22 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.139 -0.784 . . . . 0.5 111.139 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.7 m -62.49 -40.57 97.13 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 115.65 -0.275 . . . . 0.81 110.943 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.9 -41.47 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.911 0.386 . . . . 0.95 110.024 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.482 ' HE2' ' HG3' ' A' ' 51' ' ' MET . 34.7 ttm -66.77 -11.51 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 1.38 110.421 -179.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.3 -40.99 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.89 -1.05 . . . . 2.29 108.707 179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 m -71.05 -3.01 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.351 -0.841 . . . . 1.01 110.664 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -86.7 -3.3 59.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.067 -0.515 . . . . 0.96 110.922 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.05 7.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.387 -0.911 . . . . 0.89 112.0 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -140.03 162.64 34.73 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.048 -0.353 . . . . 1.44 110.048 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -142.47 96.67 6.25 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.393 -0.595 . . . . 1.59 109.393 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -93.36 149.95 2.43 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.148 2.565 . . . . 0.9 112.801 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -92.64 178.43 5.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.182 -0.463 . . . . 1.31 109.99 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.76 34.6 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.19 0.441 . . . . 2.18 112.19 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.59 70.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.148 0.499 . . . . 0.82 111.054 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.565 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.9 mp0 -75.7 -41.84 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.397 -0.82 . . . . 1.57 110.592 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.45 -36.24 73.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 0.92 112.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -85.72 -23.42 27.36 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.282 -0.567 . . . . 1.53 110.08 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.41 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.589 . . . . 1.38 110.217 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.565 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 12.2 mmt -64.76 -43.81 92.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.113 -0.948 . . . . 1.97 109.828 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.15 -42.6 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.911 -1.04 . . . . 0.79 111.394 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -55.11 -28.61 53.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.368 -0.378 . . . . 1.72 111.368 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.88 -35.32 79.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 2.84 110.775 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.9 -33.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.704 -0.68 . . . . 1.31 109.869 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.72 123.46 20.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.415 -0.811 . . . . 0.59 111.717 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.69 -15.67 7.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.964 -0.562 . . . . 0.77 110.712 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.46 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.0 -31.51 34.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.74 111.038 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.14 25.47 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.57 -0.824 . . . . 0.9 113.196 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.46 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -106.24 -25.55 11.92 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.751 -0.38 . . . . 0.65 111.369 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.58 48.18 4.84 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.393 -0.908 . . . . 0.55 112.396 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.3 m -159.13 134.56 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.743 0.417 . . . . 0.76 109.924 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.558 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 49.3 mt -77.62 93.88 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.567 -0.531 . . . . 1.08 109.567 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -179.01 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.52 110.908 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.82 -51.27 49.4 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.643 0.979 . . . . 1.38 113.643 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.44 -47.27 26.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.841 1.694 . . . . 0.7 112.772 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -71.5 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.52 110.62 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.466 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.4 t80 -65.22 -38.98 92.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.768 -0.651 . . . . 1.74 110.369 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.57 -51.09 60.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.405 . . . . 1.13 110.725 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -44.58 92.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.036 0.446 . . . . 1.05 110.535 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.573 ' CG ' HD21 ' B' ' 4' ' ' LEU . 6.5 ttp -59.2 -43.22 92.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.795 -0.639 . . . . 1.24 110.607 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.641 ' SD ' HG12 ' B' ' 7' ' ' VAL . 5.2 tmm? -65.88 -44.81 84.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 2.24 110.422 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.3 69.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.73 110.091 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -70.23 -15.16 62.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.53 -0.759 . . . . 1.73 111.49 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HE2' ' HB3' ' A' ' 84' ' ' GLU . 0.1 OUTLIER -116.53 -39.85 3.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.361 -0.536 . . . . 1.49 111.907 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.449 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 2.5 tmm? -51.08 -35.88 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.194 0.521 . . . . 2.02 110.877 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -123.47 31.45 5.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.62 -0.718 . . . . 2.32 110.613 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.42 117.68 14.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 1.41 111.315 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 p -142.71 16.85 1.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.303 -0.862 . . . . 1.88 109.242 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -133.52 30.51 3.81 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.523 -1.288 . . . . 1.78 107.523 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -41.61 110.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.67 -1.604 . . . . 1.35 114.269 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -108.77 -77.05 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.53 -0.915 . . . . 1.86 108.53 177.13 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.43 -21.35 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.912 -0.773 . . . . 2.7 108.912 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.464 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 7.0 mm-40 -52.17 -41.08 62.31 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.683 -1.144 . . . . 1.27 112.044 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.595 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 33.4 mt -56.39 -47.76 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.286 0.565 . . . . 2.16 109.752 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -43.41 96.68 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.584 -0.734 . . . . 2.9 112.005 -178.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.647 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 26.6 tt0 -48.12 -64.84 0.68 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.405 0.621 . . . . 1.47 112.265 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -23.15 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.59 111.622 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.595 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 121.092 0.472 . . . . 1.01 110.197 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -79.79 -18.93 49.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 2.72 110.931 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.731 HG23 ' SG ' ' B' ' 5' ' ' CYS . 98.3 t -85.61 -35.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.85 109.836 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -83.97 -44.39 14.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.479 -0.328 . . . . 0.54 110.72 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.15 97.11 9.18 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.735 0.779 . . . . 0.8 109.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -82.33 -32.82 29.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.638 -1.165 . . . . 2.12 111.703 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -75.03 -26.41 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.67 111.539 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.01 35.15 35.65 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.844 -0.693 . . . . 0.72 111.703 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.566 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -101.5 -19.05 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.86 110.193 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.83 21.14 34.54 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 120.802 -0.713 . . . . 0.6 113.548 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.672 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 7.6 m-85 -143.36 110.61 5.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 117.036 0.418 . . . . 1.72 110.162 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.465 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 5.8 mt -83.36 150.68 4.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 116.42 -0.354 . . . . 0.89 110.667 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.557 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.5 p -153.78 -177.5 6.43 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.595 -0.15 . . . . 1.47 110.595 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.02 3.55 4.29 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 122.466 1.127 . . . . 1.37 109.699 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.61 -68.43 0.68 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.269 -1.787 . . . . 1.18 108.51 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.88 -34.9 57.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.846 -1.07 . . . . 0.83 112.224 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.417 HD23 HG13 ' A' ' 121' ' ' VAL . 24.2 tp -61.1 -39.42 89.9 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.934 -0.306 . . . . 1.0 111.127 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -59.61 -43.61 93.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.42 110.329 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -50.42 73.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.783 -0.644 . . . . 1.0 110.795 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.5 t -63.04 -42.03 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.256 0.465 . . . . 0.73 112.256 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -34.96 77.68 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.992 0.425 . . . . 1.47 111.204 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -82.15 -29.75 31.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.95 -0.568 . . . . 0.75 110.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -38.71 80.46 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.947 -0.57 . . . . 1.08 110.5 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 56.8 mt -75.4 -33.71 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 1.34 109.85 179.123 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.81 33.88 7.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.998 -0.62 . . . . 0.89 113.16 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.29 164.48 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.217 -0.29 . . . . 1.61 110.217 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -85.23 64.93 8.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.735 0.302 . . . . 1.54 111.787 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.63 128.91 38.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.941 0.4 . . . . 1.55 110.766 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.8 p -90.11 -175.58 4.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.465 -0.568 . . . . 1.19 109.465 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.42 -36.8 85.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 1.38 110.765 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.97 -27.83 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 2.33 110.981 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.97 -32.22 65.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.408 0.623 . . . . 1.86 109.941 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.417 HG13 HD23 ' A' ' 105' ' ' LEU . 54.0 t -65.69 -44.25 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.471 -0.786 . . . . 1.01 110.844 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.82 -36.83 81.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 0.96 111.026 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.42 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.4 tp10 -66.4 -49.51 66.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.734 -0.666 . . . . 1.2 110.447 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.799 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -60.51 -42.11 95.73 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.66 -0.7 . . . . 1.33 109.979 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.419 HG23 HD13 ' A' ' 125' ' ' ILE . 1.7 mm -51.91 -29.41 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 112.709 0.633 . . . . 1.23 112.709 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.42 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 22.6 mtm105 -84.67 13.93 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.436 0.532 . . . . 1.07 112.436 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.407 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -82.29 -41.96 19.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.886 -0.783 . . . . 2.04 108.886 178.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' N ' ' HG2' ' A' ' 127' ' ' GLU . . . -99.98 -13.48 19.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 1.31 110.521 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.411 ' HB3' ' HA ' ' A' ' 126' ' ' ARG . 39.3 t0 -77.34 99.07 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.87 110.023 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.78 -47.67 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 1.12 111.544 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.74 -18.3 61.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.478 -0.328 . . . . 1.02 111.305 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 49.77 32.76 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.358 -0.925 . . . . 0.99 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -7.7 24.02 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.118 0.485 . . . . 1.02 110.33 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.85 4.52 63.38 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.769 -0.651 . . . . 0.91 111.79 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.465 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 11.7 mt-30 -135.96 157.95 45.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.379 0.609 . . . . 1.58 111.432 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.95 114.8 47.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.12 -1.067 . . . . 0.93 108.12 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.672 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 30.9 p30 -92.16 176.26 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.456 -0.497 . . . . 1.19 110.433 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.589 ' O ' HG23 ' A' ' 142' ' ' VAL . 10.7 t80 -54.92 -48.01 73.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.789 -0.641 . . . . 1.49 111.182 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -58.2 -46.1 86.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 2.6 111.44 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.402 ' HG3' ' OD1' ' A' ' 137' ' ' ASN . 51.8 mt-10 -64.42 -38.51 91.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.8 -0.636 . . . . 0.67 110.689 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.594 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 10.9 t80 -70.26 -40.47 74.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.296 -0.411 . . . . 1.07 110.911 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.589 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.1 t -61.71 -49.15 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.277 0.56 . . . . 0.96 110.511 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.96 -6.64 28.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.73 112.088 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 1.5 tmm? -103.98 -41.1 5.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.33 . . . . 1.42 111.184 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.515 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -85.17 -44.14 13.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 2.06 111.886 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.1 m -83.28 -30.82 27.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.045 -0.525 . . . . 1.3 111.58 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.238 -0.437 . . . . 1.49 110.698 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.56 ' O ' ' HB3' ' B' ' 5' ' ' CYS . 45.4 tpp . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.846 0.355 . . . . 2.97 110.623 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -86.74 -71.11 0.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 1.88 111.28 -178.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.753 ' SG ' HD22 ' A' ' 32' ' ' LEU . 91.4 m -61.4 -28.93 69.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.387 -0.369 . . . . 0.67 110.592 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.647 ' HB3' ' OE2' ' A' ' 87' ' ' GLU . 8.5 tp -75.84 -36.32 59.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.415 -0.357 . . . . 1.86 110.347 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.731 ' SG ' HG23 ' A' ' 91' ' ' VAL . 7.8 p -65.54 -23.35 66.85 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.544 -0.91 . . . . 0.7 108.544 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.786 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.81 -39.35 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 108.301 -1.0 . . . . 1.08 108.301 176.574 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.641 HG12 ' SD ' ' A' ' 72' ' ' MET . 11.1 t -68.69 -34.44 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 108.77 -0.826 . . . . 1.09 108.77 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.515 HG23 ' SD ' ' A' ' 145' ' ' MET . 3.1 m -71.27 -40.34 70.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.095 -0.502 . . . . 1.04 109.776 177.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -64.33 -36.91 85.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 1.31 109.504 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.484 ' HZ2' ' CD ' ' A' ' 11' ' ' GLU . 4.5 tmtt? -69.8 -37.17 76.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.447 -0.575 . . . . 2.43 109.447 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -66.35 -45.93 78.5 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.345 -0.613 . . . . 1.84 109.345 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.594 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 80.3 t80 -64.35 -36.55 84.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.274 -0.875 . . . . 1.5 109.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.799 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 12.8 ttp85 -82.97 -10.27 58.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.026 -0.534 . . . . 3.52 111.15 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -96.35 -21.62 17.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 1.52 109.204 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -26.81 60.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.307 -0.861 . . . . 1.6 110.428 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -33.24 75.5 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.18 -0.674 . . . . 2.65 109.18 178.478 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.98 76.43 2.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.955 -1.02 . . . . 4.01 109.877 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -147.99 -62.85 0.26 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.939 0.4 . . . . 3.44 110.132 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.909 -0.567 . . . . 4.48 109.931 179.602 . . . . . . . . 1 1 . 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 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.477 HD22 HD11 ' A' ' 9' ' ' ILE . 54.2 tp . . . . . 0 N--CA 1.471 0.615 0 CA-C-O 120.384 0.135 . . . . 2.12 110.65 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.69 129.02 39.97 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 123.508 0.505 . . . . 1.33 110.115 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.99 -34.65 70.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.473 -0.331 . . . . 1.97 111.565 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 24.5 mp0 -62.42 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 1.98 110.456 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -51.73 68.34 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.25 -0.648 . . . . 1.82 109.25 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.477 HD11 HD22 ' A' ' 4' ' ' LEU . 48.9 mm -52.1 -42.46 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.3 110.308 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.21 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.94 110.678 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 24.2 mt-10 -72.25 -41.55 66.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.257 -0.429 . . . . 1.57 110.178 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -61.5 -31.79 71.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.223 -0.444 . . . . 2.21 109.927 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -58.73 -39.84 82.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 2.07 109.671 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -67.6 -36.77 81.5 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.612 -0.514 . . . . 1.64 109.612 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.12 73.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.954 -0.566 . . . . 1.03 110.191 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -54.75 -45.17 74.13 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.003 0.43 . . . . 1.64 110.083 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -66.21 -17.18 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.87 110.955 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 tp -87.77 -47.81 8.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 2.03 110.271 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.799 ' CE2' HD12 ' B' ' 6' ' ' ILE . 43.9 m-85 -71.98 -40.38 68.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.66 0.267 . . . . 0.66 111.294 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . 0.406 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 12.5 t70 -78.74 138.0 38.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 0.54 111.258 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -141.29 25.76 2.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.95 111.214 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -127.73 -15.53 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.797 -0.361 . . . . 0.57 110.626 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.42 12.88 69.1 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.581 -0.819 . . . . 0.59 112.733 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.84 -33.43 17.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.175 0.487 . . . . 0.58 110.636 179.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.02 -7.14 56.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.282 -0.961 . . . . 0.74 113.432 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.6 m -106.87 148.09 28.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.355 0.598 . . . . 0.59 110.801 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.489 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.6 mt -84.13 119.23 32.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.225 -0.898 . . . . 0.64 111.076 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -108.44 -177.59 3.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.235 -0.654 . . . . 0.47 109.235 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -82.21 -37.68 25.67 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.353 0.597 . . . . 0.85 110.355 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -65.96 -32.32 73.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.303 -0.862 . . . . 2.59 111.839 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.572 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.3 mt-10 -72.63 -54.09 10.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.834 0.35 . . . . 0.49 111.29 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.738 HD22 ' SG ' ' B' ' 3' ' ' CYS . 7.8 mp -64.94 -35.11 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.716 -0.476 . . . . 0.87 109.716 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.42 -40.07 93.76 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.967 -0.853 . . . . 0.5 110.967 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.8 m -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.143 -0.528 . . . . 0.81 110.953 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 21.3 t -63.93 -37.82 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.184 0.516 . . . . 0.95 110.406 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.47 ' HA ' HD13 ' A' ' 39' ' ' LEU . 11.1 ttm -69.22 -14.41 62.95 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.667 -0.697 . . . . 1.38 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.725 0.774 . . . . 2.29 109.071 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.98 -10.98 60.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.368 -0.833 . . . . 1.01 110.796 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 36' ' ' MET . 62.4 mt -81.03 -10.76 59.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.641 . . . . 0.96 110.432 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.86 13.89 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.057 -0.817 . . . . 0.89 111.057 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.2 158.29 28.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.39 . . . . 1.44 110.393 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.93 82.63 25.17 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.794 -0.639 . . . . 1.59 109.585 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.405 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 44.2 Cg_endo -87.98 149.02 6.97 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.683 2.255 . . . . 0.9 112.669 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.494 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -105.52 -176.11 2.98 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.105 -0.498 . . . . 1.31 110.633 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -47.86 -31.49 5.11 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.097 0.873 . . . . 2.18 113.146 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.89 -45.3 51.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.294 0.569 . . . . 0.82 111.109 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.494 ' CD ' ' H ' ' A' ' 44' ' ' THR . 3.1 mp0 -75.5 -42.27 53.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.763 -0.653 . . . . 1.57 110.438 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.4 ' O ' HG12 ' A' ' 52' ' ' ILE . 32.1 mt -59.07 -25.08 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.353 -0.839 . . . . 0.92 110.807 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -89.48 -33.81 16.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.762 -0.458 . . . . 1.53 109.762 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.19 -44.48 83.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.591 -0.731 . . . . 1.38 110.702 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.452 ' SD ' ' HG3' ' B' ' 1' ' ' MET . 5.9 mmt -60.66 -44.77 96.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 1.97 110.512 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 48' ' ' LEU . 42.7 mm -68.19 -46.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 0.79 111.46 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.44 -33.19 65.63 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.394 0.678 . . . . 1.72 112.735 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.489 ' OE1' ' HA ' ' B' ' 1' ' ' MET . 6.8 tm-20 -63.03 -31.66 72.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 2.84 110.202 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 t -92.24 -42.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 1.31 110.965 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.477 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 4.5 t70 -64.47 126.85 29.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.217 -0.901 . . . . 0.59 112.64 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.41 -7.8 2.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.449 -0.796 . . . . 0.77 110.133 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.78 -9.85 54.91 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.984 -0.553 . . . . 0.74 110.478 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.9 42.49 25.13 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 115.991 -0.549 . . . . 0.9 113.325 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -23.47 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.91 0.386 . . . . 0.65 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.419 ' C ' ' HG1' ' A' ' 62' ' ' THR . . . 77.4 48.98 7.67 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.145 -0.55 . . . . 0.55 112.819 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.419 ' HG1' ' C ' ' A' ' 61' ' ' GLY . 24.1 m -161.49 132.07 5.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.639 0.376 . . . . 0.76 110.804 179.54 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.489 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 3.5 mt -70.97 100.15 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.002 -0.74 . . . . 1.08 109.002 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.0 -178.39 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.52 111.997 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -64.95 -47.06 74.81 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.625 -0.716 . . . . 1.38 112.721 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 -43.67 57.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.106 1.871 . . . . 0.7 112.126 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.526 ' O ' ' HB3' ' A' ' 71' ' ' MET . 29.9 mt-10 -75.28 -28.86 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.614 . . . . 0.52 110.846 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.31 -45.58 92.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.315 -0.624 . . . . 1.74 109.315 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -63.99 -46.24 85.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.784 -0.644 . . . . 1.13 110.412 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -62.99 -47.24 84.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 1.05 110.445 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.554 ' HG2' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.14 -38.68 87.27 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.44 -0.8 . . . . 1.24 110.885 179.161 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.554 ' N ' ' HG2' ' A' ' 71' ' ' MET . 5.1 ttm -68.32 -43.08 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 2.24 110.893 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.67 71.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.052 0.453 . . . . 0.73 110.176 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.444 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 6.7 ttm180 -67.58 -24.47 65.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.621 . . . . 1.73 110.948 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.464 ' HB3' HG13 ' B' ' 7' ' ' VAL . 0.3 OUTLIER -107.0 -20.58 13.28 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.111 0.412 . . . . 1.49 112.111 -179.762 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.8 ttm -63.64 -56.66 14.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.3 0.571 . . . . 2.02 110.637 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -107.67 38.01 2.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.395 -0.82 . . . . 2.32 110.328 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.412 ' O ' ' NZ ' ' B' ' 11' ' ' LYS . 2.0 t70 -62.07 111.01 1.76 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.122 -0.944 . . . . 1.41 110.581 179.593 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.83 5.8 0.69 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.883 0.849 . . . . 1.88 110.098 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.4 33.61 3.56 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.381 -1.711 . . . . 1.78 106.381 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.454 ' CB ' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -43.01 119.93 1.65 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.513 -1.676 . . . . 1.35 113.113 -178.06 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -108.9 -50.56 2.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.984 -1.007 . . . . 1.86 109.713 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -115.54 -24.86 8.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.722 -0.672 . . . . 2.7 110.706 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -51.42 -47.68 62.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.363 -0.835 . . . . 1.27 111.349 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.595 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 93.9 mt -52.63 -51.31 35.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-O 120.886 0.374 . . . . 2.16 110.211 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -66.59 -45.93 77.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 2.9 110.79 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.651 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 1.6 tt0 -53.9 -61.04 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.111 0.564 . . . . 1.47 111.924 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.19 -25.9 68.28 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.637 0.256 . . . . 0.59 111.27 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.595 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -73.71 -40.69 63.41 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.178 0.513 . . . . 1.01 109.722 -179.395 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -65.21 -34.36 78.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.475 -0.784 . . . . 2.72 111.235 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.622 HG23 ' SG ' ' B' ' 5' ' ' CYS . 93.1 t -75.42 -36.77 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.042 -0.526 . . . . 0.85 111.645 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -81.04 -28.97 35.18 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.086 0.47 . . . . 0.54 110.373 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -99.43 95.36 6.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.8 110.95 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.49 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 35.1 tttm -84.2 -22.1 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.103 0.409 . . . . 2.12 112.103 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -84.51 -22.15 30.3 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.37 -0.532 . . . . 0.67 111.998 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.33 27.27 59.94 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.423 -0.418 . . . . 0.72 113.311 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -93.33 -13.42 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.547 -0.384 . . . . 0.86 111.026 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.36 31.67 27.3 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.6 112.857 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.44 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 5.0 m-85 -145.21 116.91 8.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.094 -0.335 . . . . 1.72 110.094 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 mt -90.41 123.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.932 -0.396 . . . . 0.89 109.932 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.548 ' HB3' ' HG2' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -135.27 -164.65 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.234 -0.291 . . . . 1.47 111.072 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.62 17.7 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.309 1.052 . . . . 1.37 109.584 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.545 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -89.03 -83.33 0.23 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.688 -1.596 . . . . 1.18 111.061 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.503 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.5 mp0 -75.03 -28.7 60.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.104 -0.498 . . . . 0.83 112.275 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.74 -36.62 83.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.456 0.646 . . . . 1.0 110.498 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -60.75 -31.74 71.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.189 -0.914 . . . . 1.42 110.445 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.78 -54.82 5.48 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.321 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.503 HG22 ' O ' ' A' ' 104' ' ' GLU . 30.4 t -49.81 -48.31 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.083 0.553 . . . . 0.73 111.967 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -49.94 74.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.772 0.32 . . . . 1.47 111.478 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -70.16 -29.81 66.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.989 0.423 . . . . 0.75 111.285 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -73.22 -44.55 59.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.092 -0.503 . . . . 1.08 110.909 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.1 -35.65 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 1.34 110.29 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.11 13.1 14.07 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.715 -0.755 . . . . 0.89 112.762 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.546 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 0.5 OUTLIER -69.79 146.45 51.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.45 0.643 . . . . 1.61 110.828 -179.619 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.533 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -81.97 56.11 3.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.346 -0.843 . . . . 1.54 110.681 -178.705 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -123.49 126.9 47.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 1.55 111.429 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.512 ' O ' HG23 ' A' ' 121' ' ' VAL . 5.8 p -90.2 179.32 5.94 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.362 -0.835 . . . . 1.19 110.793 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.84 -42.23 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 1.38 110.147 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.14 -25.97 67.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.335 -0.848 . . . . 2.33 109.741 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.7 -40.29 23.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 1.86 109.236 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 117' ' ' THR . 55.2 t -59.09 -42.53 86.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 1.01 110.188 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.74 -29.83 66.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.96 110.762 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -70.73 -49.08 50.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.61 -0.723 . . . . 1.2 110.264 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.797 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 13.4 ttt -64.23 -38.8 92.36 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.874 -0.603 . . . . 1.33 110.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.43 -27.99 7.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.113 0.412 . . . . 1.23 112.113 -179.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -87.65 23.87 1.85 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.327 0.491 . . . . 1.07 112.327 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.572 ' CD ' ' HH ' ' B' ' 12' ' ' TYR . 0.0 OUTLIER -89.94 -40.13 12.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.599 -0.519 . . . . 2.04 109.599 178.618 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -106.66 -15.34 14.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 1.31 110.772 178.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -75.42 89.72 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.578 -0.737 . . . . 0.87 110.486 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.5 mm -84.24 -36.58 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.365 -0.834 . . . . 1.12 110.827 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -63.75 -28.61 70.0 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.275 -0.42 . . . . 1.02 111.44 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.01 33.58 29.16 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.458 -0.657 . . . . 0.99 111.458 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -22.8 16.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.594 0.235 . . . . 1.02 110.497 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.9 12.13 55.78 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.949 -0.643 . . . . 0.91 113.275 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.548 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 26.4 mt-30 -136.03 113.04 10.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.793 0.33 . . . . 1.58 110.176 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -78.27 113.35 17.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.112 -0.495 . . . . 0.93 109.719 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.44 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 36.5 p30 -92.93 -169.87 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.023 0.44 . . . . 1.19 111.1 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -57.13 -55.01 40.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.782 -0.644 . . . . 1.49 111.73 -178.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 0.4 OUTLIER -58.85 -49.19 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 2.6 111.663 -177.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.43 -43.61 88.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.097 -0.501 . . . . 0.67 111.102 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.502 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 68.3 t80 -68.05 -42.66 80.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.411 . . . . 1.07 111.491 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 61.3 t -59.03 -47.25 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.96 110.805 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.405 ' HG3' ' O ' ' A' ' 139' ' ' GLU . 42.3 mt-30 -69.19 -8.91 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.368 0.507 . . . . 1.73 112.368 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 2.6 tmm? -103.47 -37.75 7.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 1.42 111.858 -178.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.641 ' SD ' HG23 ' B' ' 8' ' ' THR . 42.4 ttp -93.77 -45.22 7.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.763 0.316 . . . . 2.06 111.785 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -81.37 -17.3 49.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.076 0.465 . . . . 1.3 112.021 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.583 -0.28 . . . . 1.49 110.711 179.494 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.489 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.8 mtp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.432 0.634 . . . . 2.97 110.112 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 2' ' ' ASP . 0.0 OUTLIER -61.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.948 -1.024 . . . . 1.88 111.034 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.738 ' SG ' HD22 ' A' ' 32' ' ' LEU . 84.9 m -59.83 -31.02 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.512 0.672 . . . . 0.67 110.242 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.651 ' HB3' ' OE2' ' A' ' 87' ' ' GLU . 3.3 mm? -67.51 -52.55 37.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 1.86 111.508 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.622 ' SG ' HG23 ' A' ' 91' ' ' VAL . 15.3 p -61.28 -21.53 64.01 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.725 -0.472 . . . . 0.7 109.725 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.799 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.97 -46.93 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 107.595 -1.261 . . . . 1.08 107.595 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.464 HG13 ' HB3' ' A' ' 75' ' ' LYS . 2.6 t -62.61 -42.46 96.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 109.604 -0.517 . . . . 1.09 109.604 178.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.641 HG23 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -64.8 -41.9 95.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 1.04 110.674 179.21 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.8 m -61.39 -45.4 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.438 . . . . 1.31 109.926 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -65.14 -36.98 85.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.193 -0.458 . . . . 2.43 110.135 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.412 ' NZ ' ' O ' ' A' ' 78' ' ' ASP . 20.3 tttt -66.89 -45.54 77.69 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.247 -0.433 . . . . 1.84 109.861 178.684 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.572 ' HH ' ' CD ' ' A' ' 127' ' ' GLU . 91.6 t80 -63.31 -40.61 97.82 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.075 -0.343 . . . . 1.5 110.075 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.797 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.11 -39.58 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.316 -0.402 . . . . 3.52 110.346 178.017 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -64.78 -35.29 80.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.097 0.475 . . . . 1.52 110.001 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -23.93 62.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.467 -0.788 . . . . 1.6 111.755 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -40.26 94.49 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.744 0.307 . . . . 2.65 110.781 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.65 84.12 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.556 -0.905 . . . . 4.01 108.556 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -146.6 -66.83 0.28 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.077 -0.51 . . . . 3.44 112.0 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.826 -0.607 . . . . 4.48 110.717 -179.185 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.437 ' HG ' ' N ' ' A' ' 5' ' ' THR . 41.2 tp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.514 -0.551 . . . . 2.12 109.514 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.437 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -56.48 126.92 28.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 123.42 0.45 . . . . 1.33 111.501 -179.376 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.12 -24.61 66.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 1.97 111.394 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.48 -44.27 96.09 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.25 -0.648 . . . . 1.98 109.25 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.55 -45.84 88.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 1.82 109.967 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm -55.63 -36.84 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.195 0.521 . . . . 1.3 109.833 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.419 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -67.89 -35.16 78.02 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.676 -0.693 . . . . 0.94 110.124 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.516 ' CD ' ' HZ1' ' B' ' 10' ' ' LYS . 50.7 mt-10 -70.89 -47.63 58.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.119 -0.491 . . . . 1.57 110.311 178.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -56.18 -29.34 60.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.513 -0.312 . . . . 2.21 111.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.419 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 1.1 ttpm? -53.01 -34.29 55.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.086 -0.506 . . . . 2.07 110.675 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -39.96 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.595 -0.73 . . . . 1.64 109.729 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.63 80.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.579 . . . . 1.03 110.088 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -52.24 -46.22 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.276 0.36 . . . . 1.64 110.693 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -73.6 -12.04 60.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.126 0.489 . . . . 0.87 110.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.07 -51.56 5.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.8 -0.444 . . . . 2.03 109.8 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' B' ' 6' ' ' ILE . 41.1 m-85 -69.36 -40.66 77.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.582 -0.281 . . . . 0.66 110.79 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.85 137.53 41.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.54 110.808 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -142.22 21.05 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.066 -0.515 . . . . 0.95 110.667 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -127.55 -16.0 4.91 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.433 -0.349 . . . . 0.57 111.341 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.18 21.11 57.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 0.59 112.211 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -26.13 16.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.026 0.441 . . . . 0.58 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -5.17 76.41 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.985 -0.626 . . . . 0.74 113.559 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -110.44 154.74 23.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.174 0.512 . . . . 0.59 111.307 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.504 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.0 OUTLIER -90.32 132.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.359 -0.837 . . . . 0.64 111.07 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -123.04 179.66 4.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.203 -0.666 . . . . 0.47 109.203 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -32.63 31.49 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.496 0.665 . . . . 0.85 110.105 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -76.39 -32.95 58.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 2.59 112.245 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.588 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.3 mt-10 -71.53 -50.5 30.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.938 -0.476 . . . . 0.49 111.283 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.744 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.8 mp -65.79 -31.12 71.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.133 0.492 . . . . 0.87 109.868 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.23 88.71 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.307 -0.717 . . . . 0.5 111.307 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -62.36 -43.52 98.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.84 -0.18 . . . . 0.81 111.103 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -65.55 -38.4 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 121.262 0.554 . . . . 0.95 109.754 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtm -69.12 -9.88 54.94 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.529 -0.76 . . . . 1.38 111.565 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -86.74 -40.85 14.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.06 -0.719 . . . . 2.29 109.06 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -72.71 -12.35 60.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.241 -0.89 . . . . 1.01 111.64 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.15 6.45 25.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.96 110.108 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.0 26.84 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.848 -0.691 . . . . 0.89 111.486 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -137.74 156.85 47.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.615 -0.513 . . . . 1.44 109.615 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -139.13 85.06 16.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 120.939 0.4 . . . . 1.59 110.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -89.94 142.51 3.92 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 122.901 2.401 . . . . 0.9 112.214 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.429 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -95.99 -177.23 3.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.116 -0.493 . . . . 1.31 109.874 178.011 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.2 -30.47 6.99 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.007 1.114 . . . . 2.18 114.007 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.5 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.295 0.569 . . . . 0.82 110.524 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 44' ' ' THR . 2.8 mp0 -76.19 -38.32 56.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 1.57 109.623 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.405 ' O ' HG12 ' A' ' 52' ' ' ILE . 40.5 mt -56.72 -34.0 67.06 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.92 111.222 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -88.99 -29.8 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.75 -0.463 . . . . 1.53 109.75 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.9 -43.01 90.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.831 -0.803 . . . . 1.38 108.831 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.635 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 18.7 mmt -58.25 -51.34 70.17 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.014 -0.993 . . . . 1.97 110.606 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 48' ' ' LEU . 40.3 mm -60.42 -35.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.677 . . . . 0.79 111.659 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -53.6 -36.55 62.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.672 0.619 . . . . 1.72 112.672 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -30.32 69.74 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.364 0.602 . . . . 2.84 110.524 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.516 HG12 ' SD ' ' A' ' 71' ' ' MET . 48.2 t -95.73 -49.52 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.824 -0.625 . . . . 1.31 110.874 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.65 124.54 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.314 -0.857 . . . . 0.59 111.668 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.42 -8.36 3.72 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.578 -0.737 . . . . 0.77 110.187 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -19.97 24.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.628 . . . . 0.74 110.751 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 53.08 3.11 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.559 -0.829 . . . . 0.9 111.779 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.031 -0.268 . . . . 0.65 110.813 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.53 39.66 4.38 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.38 -0.914 . . . . 0.55 112.4 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 m -154.95 133.82 12.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.765 0.317 . . . . 0.76 110.881 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.504 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 61.7 mt -75.72 98.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 108.738 -0.838 . . . . 1.08 108.738 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.5 p30 -103.24 178.93 4.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.52 112.151 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.462 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 68.1 t80 -67.19 -48.89 47.03 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.654 -0.703 . . . . 1.38 112.746 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.462 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.2 Cg_exo -52.76 -54.01 5.86 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.848 1.699 . . . . 0.7 112.55 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -65.14 -27.78 68.97 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.054 -0.258 . . . . 0.52 110.845 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.479 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.2 t80 -61.2 -34.5 75.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.72 0.638 . . . . 1.74 109.947 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.37 -55.55 15.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.374 -0.375 . . . . 1.13 110.472 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -39.23 90.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 1.05 110.728 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.701 ' HG2' ' CD2' ' B' ' 4' ' ' LEU . 6.2 ttp -58.05 -51.5 69.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.102 -0.954 . . . . 1.24 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.719 ' SD ' HG11 ' B' ' 7' ' ' VAL . 2.7 tmm? -67.14 -38.76 86.09 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.32 -0.855 . . . . 2.24 110.844 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.24 73.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.73 0.3 . . . . 0.73 111.76 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -72.19 -34.39 68.37 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.487 -0.324 . . . . 1.73 111.31 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.563 ' HE3' ' CD2' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -102.58 11.86 37.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 1.49 111.693 -178.722 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.9 ttm -83.28 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.502 0.667 . . . . 2.02 109.871 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -126.93 48.43 2.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.608 -0.724 . . . . 2.32 109.284 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -53.37 123.45 12.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.913 -1.039 . . . . 1.41 111.002 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.32 25.76 1.86 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.849 -1.069 . . . . 1.88 108.387 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -137.27 25.76 2.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 113.885 -1.507 . . . . 1.78 107.275 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -35.1 104.09 0.03 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 113.519 -1.673 . . . . 1.35 114.248 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -126.91 -66.8 0.88 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.909 -1.041 . . . . 1.86 109.462 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.44 -34.8 12.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.087 0.47 . . . . 2.7 110.163 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.643 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 1.2 pm0 -60.73 -42.58 97.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.313 -0.858 . . . . 1.27 111.184 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.632 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -58.87 -39.55 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.18 -0.674 . . . . 2.16 109.18 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.435 ' N ' HG21 ' A' ' 85' ' ' ILE . 0.4 OUTLIER -74.37 -43.57 55.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.768 -0.651 . . . . 2.9 109.985 179.399 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.502 ' OE2' ' HA ' ' B' ' 5' ' ' CYS . 0.1 OUTLIER -54.68 -54.53 40.54 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.184 -0.462 . . . . 1.47 111.449 179.081 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.06 64.27 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.819 0.343 . . . . 0.59 110.918 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.632 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -77.14 -38.37 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.144 -0.687 . . . . 1.01 109.144 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -72.07 -36.78 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 2.72 111.188 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.74 HG23 ' SG ' ' B' ' 5' ' ' CYS . 91.4 t -69.94 -37.27 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.375 -0.375 . . . . 0.85 110.201 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -79.39 -31.13 42.74 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.795 0.331 . . . . 0.54 111.358 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.23 87.61 5.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.8 110.559 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -77.51 -24.01 50.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 2.12 111.928 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -84.0 -20.2 33.22 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.262 -0.575 . . . . 0.67 110.773 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.45 65.91 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.099 -0.572 . . . . 0.72 113.09 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.3 -17.27 23.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.18 0.49 . . . . 0.86 110.964 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.61 3.96 59.44 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.583 -0.818 . . . . 0.6 113.356 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.25 117.81 23.01 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.566 -0.373 . . . . 1.72 110.456 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 mt -95.71 139.07 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.89 110.975 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.555 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.3 p -151.62 -168.34 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.637 -0.505 . . . . 1.47 109.637 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 8.94 1.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.948 0.88 . . . . 1.37 110.43 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.555 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -76.74 -81.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.828 -1.533 . . . . 1.18 110.292 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -76.24 -27.19 56.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.83 112.187 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.06 -39.76 93.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.466 0.65 . . . . 1.0 110.108 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.19 -42.32 90.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.579 -0.737 . . . . 1.42 111.099 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.52 -42.7 78.15 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.377 -0.374 . . . . 1.0 111.223 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 45.2 t -64.07 -37.19 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.886 0.374 . . . . 0.73 110.091 179.44 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -41.78 93.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 1.47 109.914 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -72.81 -33.32 66.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.75 110.615 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -44.41 75.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 1.08 110.518 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.11 -27.79 64.87 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 1.34 110.551 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.78 35.6 24.64 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.238 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 164.76 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.697 0.284 . . . . 1.61 110.351 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -83.76 58.96 4.91 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.019 0.438 . . . . 1.54 111.134 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 5.8 mp -134.25 123.22 23.9 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.55 110.875 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.7 p -96.13 -170.47 2.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.171 -0.468 . . . . 1.19 109.912 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -55.95 -49.03 74.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.917 0.389 . . . . 1.38 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.72 -35.17 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.733 -0.667 . . . . 2.33 111.516 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.81 -34.87 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 1.86 111.166 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 117' ' ' THR . 59.3 t -65.32 -43.65 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.397 0.618 . . . . 1.01 109.789 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.26 -40.24 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.96 110.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.597 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 19.0 tp10 -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 1.2 110.164 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.748 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 17.4 ttt -66.98 -39.04 87.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.825 -0.625 . . . . 1.33 110.859 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -53.52 -28.25 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.071 0.463 . . . . 1.23 111.83 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.597 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 22.4 mtm105 -84.55 13.45 5.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 1.07 112.427 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.808 -0.812 . . . . 2.04 108.808 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.51 -19.15 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 1.31 110.759 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.454 ' HA ' ' OE2' ' A' ' 140' ' ' GLU . 5.4 t70 -73.78 99.36 3.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.295 0.569 . . . . 0.87 110.583 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.7 mm -99.24 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.696 -0.684 . . . . 1.12 111.498 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -76.14 -18.74 58.99 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.78 0.289 . . . . 1.02 111.78 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.74 46.32 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.899 -0.667 . . . . 0.99 111.44 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 -30.65 5.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.611 0.243 . . . . 1.02 110.774 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.59 -11.26 46.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.577 -0.82 . . . . 0.91 113.709 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.29 121.57 44.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.267 0.533 . . . . 1.58 110.236 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.22 113.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.148 -0.478 . . . . 0.93 110.238 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -95.4 174.52 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.451 -0.34 . . . . 1.19 110.586 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -49.67 -52.11 33.37 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 122.786 0.435 . . . . 1.49 111.911 -178.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.24 -48.04 74.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 2.6 111.019 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.491 ' O ' ' HB2' ' A' ' 144' ' ' MET . 43.1 mt-10 -65.19 -36.42 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.67 111.178 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.468 ' HE1' ' CE1' ' B' ' 12' ' ' TYR . 2.8 t80 -72.94 -43.12 62.73 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.12 -0.232 . . . . 1.07 110.636 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 74.0 t -61.94 -50.55 79.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.183 0.516 . . . . 0.96 110.46 179.364 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.21 -19.1 62.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.02 -0.991 . . . . 1.73 111.791 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.491 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 1.0 OUTLIER -104.27 -21.7 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.107 0.41 . . . . 1.42 112.107 -178.864 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 44.0 mmm -88.61 -54.0 4.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.275 -0.266 . . . . 2.06 110.972 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -81.07 -41.73 22.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 1.3 111.22 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.334 -0.394 . . . . 1.49 111.134 -179.691 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.635 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.185 -0.302 . . . . 2.97 110.185 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -28.56 -75.84 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.026 1.491 . . . . 1.88 115.026 -179.766 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.744 ' SG ' HD21 ' A' ' 32' ' ' LEU . 72.6 m -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.398 0.518 . . . . 0.67 112.398 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.701 ' CD2' ' HG2' ' A' ' 71' ' ' MET . 6.4 mt -76.94 -42.86 37.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.169 0.433 . . . . 1.86 112.169 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.74 ' SG ' HG23 ' A' ' 91' ' ' VAL . 31.6 p -63.08 -25.81 68.54 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.353 -0.98 . . . . 0.7 108.353 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -65.84 -42.18 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.498 -1.297 . . . . 1.08 107.498 176.595 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.719 HG11 ' SD ' ' A' ' 72' ' ' MET . 41.9 t -63.45 -45.22 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.539 -0.755 . . . . 1.09 109.832 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -67.53 -36.67 81.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.063 -0.517 . . . . 1.04 110.424 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.604 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.2 m -65.36 -34.95 79.52 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.81 -0.811 . . . . 1.31 108.81 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.516 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -69.22 -35.19 75.92 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.801 -0.636 . . . . 2.43 109.59 178.598 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -68.44 -48.7 63.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.2 -0.667 . . . . 1.84 109.2 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.468 ' CE1' ' HE1' ' A' ' 141' ' ' PHE . 72.1 t80 -61.42 -41.75 97.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.358 -0.837 . . . . 1.5 108.868 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.748 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -70.4 -15.16 62.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.497 -0.774 . . . . 3.52 110.604 179.17 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . 0.417 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 2.1 t80 -90.27 -23.57 21.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.775 -0.648 . . . . 1.52 109.435 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.421 ' HA ' ' NE2' ' B' ' 15' ' ' GLN . 0.5 OUTLIER -74.47 -22.15 59.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.827 -0.624 . . . . 1.6 110.347 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -35.54 81.35 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.384 -0.969 . . . . 2.65 108.384 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -76.58 76.8 3.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.605 -1.179 . . . . 4.01 110.071 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -161.53 -34.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.462 -0.495 . . . . 3.44 112.194 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.722 -0.656 . . . . 4.48 110.783 -179.854 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.897 -0.409 . . . . 2.12 109.897 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.93 129.46 39.8 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.539 -0.3 . . . . 1.33 110.639 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.96 -37.79 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.97 111.364 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.405 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp0 -60.42 -45.54 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 1.98 110.724 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . 0.445 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -60.17 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.759 -0.46 . . . . 1.82 109.759 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.91 -40.94 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.704 -0.68 . . . . 1.3 110.604 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.47 86.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.995 0.426 . . . . 0.94 110.824 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.531 ' CD ' ' HZ3' ' B' ' 10' ' ' LYS . 56.9 mt-10 -67.69 -47.58 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 1.57 109.973 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.445 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 19.3 m-85 -63.66 -32.01 73.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.379 -0.373 . . . . 2.21 111.046 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -56.24 -37.79 70.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.293 -0.632 . . . . 2.07 109.293 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.85 -39.46 72.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.236 -0.893 . . . . 1.64 110.228 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.488 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -47.19 86.77 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.304 -0.628 . . . . 1.03 109.304 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -35.8 71.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.175 -0.92 . . . . 1.64 109.974 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -70.68 -23.12 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.663 -0.699 . . . . 0.87 111.816 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.488 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -90.34 -31.99 16.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.461 -0.496 . . . . 2.03 110.225 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.811 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -72.16 -45.11 61.75 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.275 0.56 . . . . 0.66 110.221 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.88 143.71 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.501 -0.772 . . . . 0.54 111.504 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -139.86 14.57 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.95 110.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -123.84 -20.43 5.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.887 0.328 . . . . 0.57 111.887 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.5 21.0 59.12 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.147 -0.549 . . . . 0.59 112.387 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -22.62 20.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.373 -0.487 . . . . 0.58 110.365 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.19 5.71 65.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.647 -0.787 . . . . 0.74 113.14 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 143.56 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.108 0.454 . . . . 0.59 111.004 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.547 ' HB ' ' O ' ' A' ' 63' ' ' ILE . 1.9 mt -76.09 140.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.64 110.391 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.476 ' N ' HG23 ' A' ' 27' ' ' ILE . 71.1 p -128.18 -179.12 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.3 -0.63 . . . . 0.47 109.3 176.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -37.91 31.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.624 0.726 . . . . 0.85 110.934 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -74.61 -26.85 60.18 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.403 -0.817 . . . . 2.59 111.939 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -75.01 -50.43 16.58 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.09 0.472 . . . . 0.49 110.505 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.811 HD22 ' SG ' ' B' ' 3' ' ' CYS . 7.3 mp -67.07 -38.0 85.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.87 111.154 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.89 -34.04 70.42 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.789 -0.719 . . . . 0.5 112.144 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.8 m -63.59 -40.14 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.761 -0.459 . . . . 0.81 109.761 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.46 -45.03 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.943 0.401 . . . . 0.95 111.015 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.476 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -67.57 -11.85 59.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 1.38 110.432 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.55 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -82.54 -41.59 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.735 -0.839 . . . . 2.29 108.735 179.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . 0.526 ' HB2' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -71.24 -15.37 62.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 1.01 110.996 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -79.46 -1.85 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.139 -0.482 . . . . 0.96 110.962 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.28 25.12 27.11 Favored Glycine 0 CA--C 1.503 -0.661 0 C-N-CA 121.065 -0.588 . . . . 0.89 112.277 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.55 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 37.1 mt-30 -127.94 144.76 51.1 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 1.44 109.444 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -134.64 90.87 22.33 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.415 -0.587 . . . . 1.59 109.415 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.476 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 19.7 Cg_endo -89.57 153.7 5.27 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.722 2.948 . . . . 0.9 112.8 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.69 174.31 8.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.089 -0.338 . . . . 1.31 110.089 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.443 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -56.15 -27.23 53.43 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.682 0.277 . . . . 2.18 110.791 179.447 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.51 -39.61 74.02 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.206 0.527 . . . . 0.82 109.642 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.42 -40.53 61.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.768 -0.651 . . . . 1.57 110.195 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 54.2 mt -64.98 -22.03 66.94 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.562 -0.744 . . . . 0.92 110.955 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.443 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 1.5 tp-100 -90.08 -42.92 10.83 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.36 -0.978 . . . . 1.53 108.36 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -59.06 -41.98 89.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.749 -1.114 . . . . 1.38 110.228 179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.2 mmt -54.06 -49.39 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.35 -0.841 . . . . 1.97 111.269 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 19.1 mm -68.23 -31.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 0.79 111.541 179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.17 -27.21 66.94 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.443 0.64 . . . . 1.72 111.776 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 -82.39 6.98 15.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.886 -0.597 . . . . 2.84 111.283 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.431 ' CG1' HD11 ' A' ' 63' ' ' ILE . 90.3 t -130.51 -41.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.644 0.735 . . . . 1.31 109.493 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -70.18 135.36 49.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.902 -1.045 . . . . 0.59 110.562 -179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.9 -14.98 3.46 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.01 -0.541 . . . . 0.77 110.813 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.496 ' OD1' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -79.73 -23.63 42.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.74 110.257 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 40.36 4.95 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.794 -0.717 . . . . 0.9 112.232 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.496 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -120.05 -23.61 6.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 0.65 110.496 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.3 52.47 8.66 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.971 -0.633 . . . . 0.55 112.371 179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.1 m -160.14 126.05 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.411 0.284 . . . . 0.76 110.529 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.547 ' O ' ' HB ' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.49 102.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.115 -0.698 . . . . 1.08 109.115 178.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.45 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.2 p30 -106.1 178.64 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.52 110.194 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.08 -48.25 70.94 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 112.842 0.682 . . . . 1.38 112.842 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -54.28 -45.41 41.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 121.873 1.716 . . . . 0.7 112.245 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -75.83 -30.08 58.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.953 -0.388 . . . . 0.52 109.953 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.586 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.0 t80 -59.9 -40.98 90.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.969 -0.56 . . . . 1.74 110.5 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.29 -54.6 19.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 1.13 111.746 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' THR . . . . . 0.437 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -60.47 -47.78 84.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.327 0.584 . . . . 1.05 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.499 ' HG3' HD23 ' B' ' 4' ' ' LEU . 1.6 ttp -60.77 -40.88 94.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.01 -0.996 . . . . 1.24 110.733 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.693 ' SD ' HG13 ' B' ' 7' ' ' VAL . 4.5 tmm? -66.03 -57.16 8.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 2.24 110.35 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.99 -28.07 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.116 -0.493 . . . . 0.73 111.439 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.721 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -76.11 -15.61 60.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.224 0.453 . . . . 1.73 112.224 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' NZ ' ' HG ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -113.17 -34.24 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.274 -0.57 . . . . 1.49 112.149 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.591 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 7.5 tmm? -61.75 -40.69 96.02 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.649 0.262 . . . . 2.02 110.324 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -112.12 20.96 16.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.71 0.29 . . . . 2.32 110.777 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.721 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.3 t70 -69.04 135.41 50.8 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.246 0.546 . . . . 1.41 111.678 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.46 21.66 1.18 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.163 -0.926 . . . . 1.88 109.866 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.96 26.89 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.376 -0.972 . . . . 1.78 108.376 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.44 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -41.59 124.01 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 113.365 -1.743 . . . . 1.35 114.014 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -121.7 -46.86 2.22 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.138 0.494 . . . . 1.86 109.693 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.299 -0.41 . . . . 2.7 110.916 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 2.0 pm0 -53.14 -37.37 61.75 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.63 0.581 . . . . 1.27 110.985 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.65 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 45.1 mt -53.97 -49.97 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 121.338 0.59 . . . . 2.16 109.92 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -47.47 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.347 -0.842 . . . . 2.9 110.589 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' OE2' ' HG2' ' B' ' 1' ' ' MET . 3.2 tt0 -48.41 -62.25 1.59 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.735 -0.666 . . . . 1.47 112.113 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -21.14 65.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 111.732 0.271 . . . . 0.59 111.732 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.39 -37.52 65.94 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 109.629 -0.508 . . . . 1.01 109.629 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -75.98 -28.94 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 2.72 110.245 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.795 HG23 ' SG ' ' B' ' 5' ' ' CYS . 79.8 t -74.1 -37.27 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.051 0.453 . . . . 0.85 109.976 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -82.97 -48.06 11.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.902 -0.59 . . . . 0.54 111.073 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.36 111.32 16.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.271 0.557 . . . . 0.8 109.791 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.407 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 38.4 tttm -97.41 -31.29 12.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.799 -0.637 . . . . 2.12 111.864 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -75.2 -19.21 59.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.318 . . . . 0.67 110.54 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.09 78.51 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.819 -0.705 . . . . 0.72 112.198 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.513 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -85.53 -18.52 33.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.493 0.187 . . . . 0.86 110.876 -178.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.8 27.16 24.92 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.589 -0.815 . . . . 0.6 113.426 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.513 ' HB2' HD22 ' A' ' 97' ' ' ASN . 12.5 m-85 -144.69 113.16 6.61 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.909 0.385 . . . . 1.72 110.263 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.417 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 33.5 mt -89.75 139.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.588 . . . . 0.89 111.071 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.585 ' C ' ' H ' ' A' ' 103' ' ' ALA . 4.2 p -152.55 -170.71 3.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.274 -0.269 . . . . 1.47 110.274 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.63 9.81 1.3 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.644 1.211 . . . . 1.37 109.414 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.585 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -82.1 -77.28 0.23 Allowed 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.341 -1.754 . . . . 1.18 109.631 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.411 ' O ' HG22 ' A' ' 108' ' ' VAL . 1.9 mt-10 -80.89 -32.55 34.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.461 -0.79 . . . . 0.83 113.006 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.22 -40.55 86.22 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.21 0.528 . . . . 1.0 110.697 -178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -57.29 -43.36 83.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.895 -1.048 . . . . 1.42 110.254 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.18 -47.27 86.94 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.732 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.411 HG22 ' O ' ' A' ' 104' ' ' GLU . 5.9 t -62.13 -46.5 96.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 111.82 0.304 . . . . 0.73 111.82 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.38 92.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.793 0.33 . . . . 1.47 111.215 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -71.88 -26.52 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.75 110.612 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . 0.526 ' OD1' ' HB2' ' A' ' 38' ' ' SER . 1.2 t-20 -79.56 -45.65 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.507 -0.315 . . . . 1.08 110.789 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.89 -43.91 97.88 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.297 0.57 . . . . 1.34 110.391 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.05 33.76 1.6 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.177 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.425 ' OE2' ' HD3' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -77.6 157.69 30.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.142 0.496 . . . . 1.61 110.692 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -90.53 28.25 1.53 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.963 -0.562 . . . . 1.54 110.962 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -109.04 122.94 48.33 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.187 0.44 . . . . 1.55 112.187 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 -171.95 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 1.19 109.737 177.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.51 -45.34 94.16 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.864 0.32 . . . . 1.38 111.864 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.26 -33.78 76.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.847 0.356 . . . . 2.33 110.671 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.17 -33.31 63.43 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.512 -0.767 . . . . 1.86 108.985 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 3.5 t -65.41 -44.79 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 1.01 109.349 178.735 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.59 -47.07 77.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.836 0.351 . . . . 0.96 110.24 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -57.45 -40.62 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 1.2 110.484 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.737 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 10.7 ttt -69.92 -44.53 69.45 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.433 -0.349 . . . . 1.33 110.903 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.91 -28.66 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 120.993 0.425 . . . . 1.23 111.442 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.13 17.67 0.75 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.484 0.55 . . . . 1.07 112.484 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -40.26 12.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.498 -0.556 . . . . 2.04 109.498 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 130' ' ' ILE . . . -101.98 -22.64 14.25 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.947 -0.569 . . . . 1.31 111.244 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.49 103.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.153 -0.476 . . . . 0.87 109.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 128' ' ' ALA . 23.1 mm -97.36 -28.36 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.974 -0.557 . . . . 1.12 111.199 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -75.88 -22.65 55.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.904 0.383 . . . . 1.02 111.758 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.89 29.33 54.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.634 -0.793 . . . . 0.99 111.552 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.87 -19.27 19.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.73 0.3 . . . . 1.02 110.514 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.95 7.8 67.85 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.007 -0.616 . . . . 0.91 113.358 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.417 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 80.3 mt-30 -132.27 111.03 11.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.663 0.268 . . . . 1.58 110.385 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.413 HG23 ' OH ' ' B' ' 12' ' ' TYR . 57.0 t -72.38 119.09 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.908 -0.404 . . . . 0.93 109.908 179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . 0.502 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 28.4 p30 -96.72 -175.09 3.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 1.19 110.423 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.469 ' O ' HG22 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -58.5 -51.79 68.36 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.569 -0.287 . . . . 1.49 111.704 -178.836 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.508 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 5.8 mp0 -57.8 -48.04 80.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 2.6 111.527 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.52 -38.18 77.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.67 111.537 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.576 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 7.4 t80 -74.71 -35.25 62.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.235 -0.439 . . . . 1.07 110.598 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 138' ' ' TYR . 53.5 t -63.62 -42.49 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.93 0.395 . . . . 0.96 109.999 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.508 ' HG3' ' O ' ' A' ' 139' ' ' GLU . 17.1 mt-30 -67.73 -4.12 11.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.113 -0.494 . . . . 1.73 111.342 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' MET . . . . . . . . . . . . . 4.1 mmm -111.4 -32.14 6.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.115 0.483 . . . . 1.42 111.472 -179.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.426 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.9 OUTLIER -90.89 -50.57 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.923 -0.485 . . . . 2.06 111.01 -179.683 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -79.73 -30.97 41.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.076 -0.511 . . . . 1.3 111.46 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.497 ' HB1' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.673 0.273 . . . . 1.49 110.64 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.426 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 4.2 ttt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 122.474 1.13 . . . . 2.97 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.464 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.81 -55.2 15.08 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.763 -1.562 . . . . 1.88 112.06 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.811 ' SG ' HD22 ' A' ' 32' ' ' LEU . 32.9 m -61.86 -33.04 73.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.528 -0.306 . . . . 0.67 111.348 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.53 ' HG ' ' NZ ' ' A' ' 75' ' ' LYS . 2.0 tp -75.79 -41.43 52.93 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.361 -0.381 . . . . 1.86 111.949 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.795 ' SG ' HG23 ' A' ' 91' ' ' VAL . 14.3 p -64.49 -25.5 68.02 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.801 -0.814 . . . . 0.7 108.801 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.811 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.84 -40.41 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 107.221 -1.4 . . . . 1.08 107.221 176.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.693 HG13 ' SD ' ' A' ' 72' ' ' MET . 19.4 t -65.11 -42.28 93.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.262 -0.881 . . . . 1.09 109.28 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.495 ' OG1' ' HG2' ' A' ' 75' ' ' LYS . 4.3 m -66.88 -40.41 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.457 0.646 . . . . 1.04 109.992 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.419 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.0 m -63.45 -37.91 89.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.766 -0.827 . . . . 1.31 108.766 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.531 ' HZ3' ' CD ' ' A' ' 11' ' ' GLU . 0.1 OUTLIER -64.67 -39.27 93.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 2.43 109.865 178.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.471 ' HE2' ' OE1' ' B' ' 15' ' ' GLN . 8.0 tttt -63.36 -51.19 66.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.203 -0.666 . . . . 1.84 109.203 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.576 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 56.5 t80 -60.82 -37.22 81.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.5 110.089 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.737 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -80.52 -9.99 59.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.126 -0.488 . . . . 3.52 111.176 179.279 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -94.62 -15.46 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.52 109.757 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.471 ' OE1' ' HE2' ' B' ' 11' ' ' LYS . 0.1 OUTLIER -87.75 -10.19 51.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.795 -0.639 . . . . 1.6 110.041 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -61.27 -33.57 73.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.817 -0.629 . . . . 2.65 111.425 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -109.15 45.66 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.458 0.646 . . . . 4.01 110.533 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -85.06 -58.68 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.144 0.497 . . . . 3.44 109.841 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.389 -0.815 . . . . 4.48 109.622 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.6 tp . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.958 -0.386 . . . . 2.12 109.958 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.94 121.03 5.42 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.137 0.273 . . . . 1.33 110.756 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.44 -33.82 63.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.726 0.641 . . . . 1.97 111.164 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.602 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.8 mp0 -54.38 -46.56 73.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.127 -0.488 . . . . 1.98 110.168 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.19 -46.83 87.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.719 -0.475 . . . . 1.82 109.719 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -52.95 -45.45 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.162 -0.472 . . . . 1.3 110.201 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.507 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -64.69 -29.61 70.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.465 -0.788 . . . . 0.94 111.081 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 48.7 mt-10 -74.98 -50.21 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.39 -0.368 . . . . 1.57 110.287 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -60.24 -23.04 63.74 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.375 -0.375 . . . . 2.21 110.878 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.507 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 2.0 ttpt -51.84 -39.96 59.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.67 -0.695 . . . . 2.07 109.553 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.96 -34.46 73.44 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.425 -0.807 . . . . 1.64 110.452 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.49 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -63.67 -50.05 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 1.03 110.164 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -27.73 68.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.043 -0.354 . . . . 1.64 110.043 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -80.51 -9.13 59.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.87 110.969 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -105.65 -39.35 6.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.894 -0.41 . . . . 2.03 109.894 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.811 ' CE2' HD12 ' B' ' 6' ' ' ILE . 15.7 m-85 -68.35 -41.16 81.1 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.939 -0.393 . . . . 0.66 109.939 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.66 140.2 39.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.864 -0.607 . . . . 0.54 110.679 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.445 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 26.6 mmtm -138.83 20.58 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 0.95 111.441 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -127.83 -26.11 2.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.835 0.309 . . . . 0.57 111.835 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.21 12.64 56.02 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.885 -0.674 . . . . 0.59 112.675 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.7 -27.22 27.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.455 . . . . 0.58 109.993 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 19.05 48.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.571 -0.823 . . . . 0.74 113.889 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.64 146.32 45.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 117.307 0.554 . . . . 0.59 110.373 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.579 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.2 mp -80.04 134.4 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.64 111.2 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.7 p -124.92 176.15 6.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.483 -0.932 . . . . 0.47 108.483 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -78.39 -37.23 44.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.531 0.681 . . . . 0.85 109.4 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.099 -0.955 . . . . 2.59 112.411 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.435 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.2 mt-10 -71.64 -57.3 4.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 121.979 -0.451 . . . . 0.49 111.231 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.795 HD22 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -60.88 -35.91 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.911 -0.586 . . . . 0.87 110.53 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.65 97.14 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.833 -0.621 . . . . 0.5 111.951 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -34.18 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.781 0.324 . . . . 0.81 110.873 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.47 -38.57 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.763 0.315 . . . . 0.95 110.71 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.51 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -74.57 -11.2 60.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.473 . . . . 1.38 110.553 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.457 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 21.7 ttp180 -77.63 -44.8 27.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.126 -0.694 . . . . 2.29 109.126 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -7.72 41.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.642 -0.708 . . . . 1.01 111.641 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.69 -1.65 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.96 109.931 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.51 7.05 62.12 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.616 -0.802 . . . . 0.89 111.159 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.457 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.3 mm100 -108.75 141.61 40.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.15 -0.525 . . . . 1.44 110.232 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -132.18 77.61 70.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.67 -0.493 . . . . 1.59 109.67 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.51 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 73.3 Cg_endo -80.98 159.55 20.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.402 2.068 . . . . 0.9 112.031 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -100.09 174.72 6.03 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.94 -0.573 . . . . 1.31 109.972 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -51.89 -23.7 5.26 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.675 0.62 . . . . 2.18 112.675 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.37 -41.53 63.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.552 0.691 . . . . 0.82 109.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.7 mp0 -81.13 -40.17 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.447 -0.797 . . . . 1.57 109.672 178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 37.3 mt -54.25 -45.49 72.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.777 -0.647 . . . . 0.92 111.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.6 -24.89 45.19 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.861 -0.335 . . . . 1.53 110.258 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.4 -43.18 96.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.213 0.53 . . . . 1.38 109.812 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.503 ' SD ' ' HG2' ' B' ' 1' ' ' MET . 21.6 mmt -63.75 -45.0 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.333 -0.848 . . . . 1.97 110.513 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.4 mm -66.12 -37.91 80.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 0.79 110.421 179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.63 -31.74 72.65 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.155 -0.475 . . . . 1.72 110.862 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -63.06 -36.2 82.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.076 -0.511 . . . . 2.84 109.669 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 t -83.83 -36.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 1.31 110.9 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -65.39 129.2 38.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.59 112.107 -177.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.6 -15.91 5.93 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.436 -0.802 . . . . 0.77 110.368 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.417 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -83.3 -28.27 29.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.758 -0.377 . . . . 0.74 110.696 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.82 33.06 5.68 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.616 -0.802 . . . . 0.9 112.403 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.417 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -108.42 -26.9 10.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.554 -0.38 . . . . 0.65 111.119 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.473 ' C ' ' HG1' ' A' ' 62' ' ' THR . . . 85.84 39.2 8.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.55 112.472 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.473 ' HG1' ' C ' ' A' ' 61' ' ' GLY . 11.2 m -159.84 135.06 8.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.411 0.285 . . . . 0.76 110.379 -179.236 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.579 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 8.4 mt -72.77 100.96 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.386 -0.598 . . . . 1.08 109.386 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.53 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 1.6 p30 -99.52 -174.89 2.84 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.276 -0.42 . . . . 0.52 111.155 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.83 -47.95 30.92 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 112.578 0.585 . . . . 1.38 112.578 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.53 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 76.8 Cg_exo -54.42 -43.77 55.7 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.973 1.782 . . . . 0.7 112.162 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -72.89 -26.8 61.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.349 -0.387 . . . . 0.52 110.179 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.08 -43.52 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 1.74 110.488 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.93 -48.95 67.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.695 -0.684 . . . . 1.13 110.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 m -62.24 -44.48 96.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.125 -0.488 . . . . 1.05 110.668 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.634 ' HG3' ' CD2' ' B' ' 4' ' ' LEU . 19.1 ttp -56.64 -37.1 70.3 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.56 0.695 . . . . 1.24 110.365 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 34.7 ttm -72.45 -41.4 66.16 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.195 -0.911 . . . . 2.24 110.0 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.1 -38.23 90.04 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.286 -0.415 . . . . 0.73 111.4 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.558 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 7.6 ttm180 -66.02 -7.96 20.27 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.545 0.572 . . . . 1.73 112.545 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.547 ' CE ' HD12 ' B' ' 4' ' ' LEU . 1.4 tppt? -124.24 -30.2 3.47 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.186 0.439 . . . . 1.49 112.186 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.61 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 8.4 ttm -55.24 -32.84 62.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.143 0.497 . . . . 2.02 110.574 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.61 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 32.8 mtmt -134.49 32.74 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 2.32 110.433 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.558 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.6 t70 -68.11 107.77 2.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.01 0.433 . . . . 1.41 110.117 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.7 p -130.33 11.93 5.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.319 0.58 . . . . 1.88 110.598 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -136.09 36.43 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.347 -0.983 . . . . 1.78 108.347 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -36.8 110.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.844 -1.526 . . . . 1.35 114.294 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -84.03 -69.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.089 -1.078 . . . . 1.86 108.089 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -119.84 -5.21 10.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.322 -0.992 . . . . 2.7 108.322 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -50.57 -51.01 52.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.601 -1.181 . . . . 1.27 112.565 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.2 pt -61.3 -33.25 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 2.16 110.71 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -48.36 56.71 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.992 -0.549 . . . . 2.9 109.86 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.57 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -52.0 -51.31 58.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.688 0.617 . . . . 1.47 110.716 178.123 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.55 66.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.739 0.304 . . . . 0.59 111.023 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -81.85 -35.46 29.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.985 0.421 . . . . 1.01 110.039 179.663 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -68.76 -33.55 74.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 2.72 110.261 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.694 HG23 ' SG ' ' B' ' 5' ' ' CYS . 84.7 t -78.83 -35.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.85 110.139 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 -79.68 -42.53 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.54 112.085 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.8 97.39 11.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.8 110.368 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -80.52 -26.98 37.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 2.12 112.324 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -80.86 -17.42 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.43 -0.508 . . . . 0.67 111.175 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.96 27.39 70.57 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.954 -0.641 . . . . 0.72 113.573 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.483 HD22 ' HB2' ' A' ' 99' ' ' TYR . 2.0 p-10 -92.94 -19.46 21.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.519 0.66 . . . . 0.86 111.975 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.77 4.35 56.93 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.483 -0.865 . . . . 0.6 113.159 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.483 ' HB2' HD22 ' A' ' 97' ' ' ASN . 79.8 m-85 -133.38 108.2 8.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.731 -0.47 . . . . 1.72 109.731 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.36 117.65 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.488 -0.56 . . . . 0.89 109.488 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.2 172.23 6.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 1.47 111.847 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.35 79.2 0.54 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.483 -0.78 . . . . 1.37 109.737 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 175.03 -48.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.284 -0.871 . . . . 1.18 110.956 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.81 -44.9 84.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.503 -0.771 . . . . 0.83 110.186 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.01 -35.2 80.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.428 -0.806 . . . . 1.0 109.005 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.1 mtt85 -57.78 -50.3 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.543 -0.753 . . . . 1.42 110.723 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -63.62 -54.52 34.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.957 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.1 t -54.65 -47.77 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 111.894 0.331 . . . . 0.73 111.894 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 1.47 111.584 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.2 m -79.45 -31.23 42.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.396 . . . . 0.75 110.846 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -45.19 78.19 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.27 -0.423 . . . . 1.08 110.446 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.53 -25.65 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.73 -0.668 . . . . 1.34 110.097 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 55.46 2.78 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.844 -0.694 . . . . 0.89 111.7 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.23 159.37 14.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.902 -0.407 . . . . 1.61 109.902 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.47 38.7 0.79 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.28 -0.418 . . . . 1.54 110.247 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.3 mp -107.14 113.97 27.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.35 -0.387 . . . . 1.55 111.404 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.42 10.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.039 -0.528 . . . . 1.19 110.181 178.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.55 -52.02 50.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.729 0.64 . . . . 1.38 112.729 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -24.5 66.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.446 -0.343 . . . . 2.33 111.525 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.0 mm-40 -79.78 -34.56 39.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.86 110.33 -179.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.7 -39.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.058 -0.719 . . . . 1.01 109.058 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.51 -40.86 93.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.38 -0.827 . . . . 0.96 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -61.14 -39.37 89.8 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.038 -0.727 . . . . 1.2 109.038 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.645 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.1 ttt -67.99 -39.26 83.3 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.26 -0.882 . . . . 1.33 109.412 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.467 HG23 HD13 ' A' ' 125' ' ' ILE . 0.7 OUTLIER -55.21 -24.4 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.523 -0.762 . . . . 1.23 111.882 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 21.8 mtm105 -99.05 7.21 46.15 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.608 0.596 . . . . 1.07 112.608 -179.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.617 ' OE2' ' HG3' ' A' ' 124' ' ' MET . 10.0 pt-20 -70.24 -41.44 73.52 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.461 -0.496 . . . . 2.04 109.95 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.431 ' HA ' ' HG3' ' A' ' 144' ' ' MET . . . -104.08 -7.29 20.36 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.075 0.465 . . . . 1.31 110.969 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.415 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 4.6 t70 -76.19 100.95 5.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.547 -0.751 . . . . 0.87 110.118 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . 0.462 HD12 HG22 ' A' ' 130' ' ' ILE . 7.9 mm -99.21 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.555 -0.748 . . . . 1.12 111.154 -178.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -86.27 -28.51 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.449 -0.341 . . . . 1.02 110.345 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.64 48.87 5.38 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.377 -0.689 . . . . 0.99 111.377 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -17.15 7.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.741 0.274 . . . . 1.02 111.741 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.61 3.45 66.57 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.398 -0.906 . . . . 0.91 113.647 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -124.16 115.49 21.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.297 0.549 . . . . 1.58 110.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.444 HG12 ' HB2' ' A' ' 141' ' ' PHE . 97.2 t -77.05 97.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.24 -0.652 . . . . 0.93 109.24 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 174.2 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.54 . . . . 1.19 110.377 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -53.86 -51.75 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.33 0.493 . . . . 1.49 112.33 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -65.21 -37.53 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.865 0.321 . . . . 2.6 111.865 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.612 ' O ' ' HB2' ' A' ' 144' ' ' MET . 19.1 mt-10 -63.08 -38.97 93.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.67 111.022 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' B' ' 12' ' ' TYR . 51.8 t80 -80.59 -37.27 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.255 -0.429 . . . . 1.07 111.399 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.2 t -61.22 -49.66 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.99 0.424 . . . . 0.96 110.923 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -78.72 1.11 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.052 -0.522 . . . . 1.73 112.213 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.612 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 2.0 tmm? -109.91 -38.2 5.41 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.494 -0.482 . . . . 1.42 112.103 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.632 ' SD ' HG23 ' B' ' 8' ' ' THR . 41.2 ttp -84.4 -44.9 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.253 -0.579 . . . . 2.06 110.802 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.5 m -71.9 -41.96 67.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.823 0.344 . . . . 1.3 111.427 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 1.49 110.912 -179.115 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.503 ' HG2' ' SD ' ' A' ' 51' ' ' MET . 9.4 ptp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.787 0.327 . . . . 2.97 111.055 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.407 ' OD1' ' N ' ' B' ' 2' ' ' ASP . 0.0 OUTLIER -77.01 -72.46 0.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.182 0.515 . . . . 1.88 110.041 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.795 ' SG ' HD22 ' A' ' 32' ' ' LEU . 76.7 m -65.38 -24.53 67.25 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.809 0.814 . . . . 0.67 108.982 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.634 ' CD2' ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -66.36 -50.31 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.664 -1.153 . . . . 1.86 109.985 178.682 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.694 ' SG ' HG23 ' A' ' 91' ' ' VAL . 13.7 p -64.8 -24.07 67.44 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.692 -0.231 . . . . 0.7 110.851 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.811 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.19 -41.57 91.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.428 -0.953 . . . . 1.08 108.428 177.109 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -66.09 -38.06 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.607 -0.516 . . . . 1.09 109.607 177.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.632 HG23 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -69.54 -41.09 76.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.272 -0.422 . . . . 1.04 110.963 179.224 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 96.2 m -62.15 -33.27 74.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.481 -0.933 . . . . 1.31 108.481 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -68.68 -43.6 75.8 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.918 -1.037 . . . . 2.43 109.823 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -62.5 -45.81 91.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.186 -0.672 . . . . 1.84 109.186 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.525 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 90.3 t80 -62.99 -46.5 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.921 -0.581 . . . . 1.5 109.832 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.645 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -71.28 -11.87 61.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.935 -0.575 . . . . 3.52 111.15 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -102.04 -9.06 20.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.935 -0.575 . . . . 1.52 109.855 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.413 ' HG2' ' O ' ' A' ' 144' ' ' MET . 6.1 tp60 -74.73 -38.45 62.27 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.279 -0.873 . . . . 1.6 109.798 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.84 -37.79 66.61 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.526 0.679 . . . . 2.65 109.727 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.04 87.75 3.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.404 -0.816 . . . . 4.01 109.316 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -158.03 -55.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.926 -0.579 . . . . 3.44 110.753 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.68 -0.691 . . . . 4.48 110.408 179.345 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.844 0.354 . . . . 2.12 110.209 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 132.98 49.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 1.33 112.079 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.75 -26.53 65.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.814 -0.63 . . . . 1.97 111.557 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.461 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 19.2 mp0 -59.19 -47.99 83.29 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.024 -0.732 . . . . 1.98 109.024 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.61 -44.74 95.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.512 -0.767 . . . . 1.82 109.661 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.415 HD13 HG21 ' A' ' 9' ' ' ILE . 43.1 mm -51.9 -43.94 36.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.116 -0.493 . . . . 1.3 110.357 177.384 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.87 -31.77 72.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.94 111.081 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.47 ' CD ' ' HZ3' ' B' ' 10' ' ' LYS . 74.5 mt-10 -72.1 -49.25 37.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 1.57 110.477 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -60.36 -29.34 68.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.461 -0.336 . . . . 2.21 110.529 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.5 ttpt -55.79 -40.24 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.237 -0.653 . . . . 2.07 109.237 176.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -69.89 -37.67 76.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.659 . . . . 1.64 109.591 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.7 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -61.83 -51.84 66.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.466 -0.788 . . . . 1.03 109.999 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -32.79 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 1.64 110.098 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 m -71.52 -18.5 62.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.612 -0.722 . . . . 0.87 111.645 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.7 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -93.68 -39.03 11.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.21 -0.596 . . . . 2.03 110.486 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.801 ' CE2' HD12 ' B' ' 6' ' ' ILE . 29.4 m-85 -69.06 -40.38 78.56 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.66 110.451 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.27 138.5 34.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.54 110.744 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -141.24 8.53 2.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.168 -0.469 . . . . 0.95 111.188 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -112.95 -17.93 12.35 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.824 0.305 . . . . 0.57 111.824 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 11.67 68.12 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.292 -0.956 . . . . 0.59 112.26 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -27.88 25.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.58 110.196 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.9 5.1 68.63 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.8 -0.714 . . . . 0.74 114.215 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.1 158.61 30.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.231 0.515 . . . . 0.59 110.581 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.553 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.5 mp -90.09 127.56 42.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.119 0.485 . . . . 0.64 111.921 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.3 p -119.45 173.85 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.886 -0.783 . . . . 0.47 108.886 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -80.79 -27.49 36.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.628 0.727 . . . . 0.85 109.872 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -67.44 -38.49 84.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.617 -1.174 . . . . 2.59 112.256 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.9 mt-10 -75.61 -54.48 6.91 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.701 0.63 . . . . 0.49 112.701 -177.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.717 HD22 ' SG ' ' B' ' 3' ' ' CYS . 10.1 mp -62.61 -34.72 77.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.87 110.619 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.55 91.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.927 -0.654 . . . . 0.5 112.155 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.3 m -63.23 -37.36 86.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.777 0.322 . . . . 0.81 111.076 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.1 -41.38 67.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.417 0.627 . . . . 0.95 110.324 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.2 ttm -65.35 -11.19 39.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.404 -0.816 . . . . 1.38 111.042 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.502 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 8.9 ttp180 -85.57 -40.69 16.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.489 -0.778 . . . . 2.29 109.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -69.12 -11.43 60.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.456 -0.793 . . . . 1.01 111.418 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.57 12.94 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.154 0.502 . . . . 0.96 109.789 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.26 25.09 71.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.782 -0.644 . . . . 0.89 112.053 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.502 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 46.2 mt-30 -122.47 137.37 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 1.44 109.976 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.34 81.36 37.95 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.863 -0.792 . . . . 1.59 108.863 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -82.17 138.5 10.1 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.392 2.728 . . . . 0.9 112.007 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 p -75.05 169.55 17.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 1.31 110.258 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -47.68 -49.14 28.56 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.267 0.354 . . . . 2.18 111.891 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.55 94.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 111.828 0.307 . . . . 0.82 111.828 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.24 -39.25 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.377 -0.601 . . . . 1.57 109.377 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 72.1 mt -66.78 -25.33 66.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.92 -0.582 . . . . 0.92 110.825 179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.47 -37.71 19.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.334 -0.617 . . . . 1.53 109.334 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 23.8 t70 -55.52 -37.96 68.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.267 -0.879 . . . . 1.38 109.197 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.411 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.85 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.533 -0.758 . . . . 1.97 109.741 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 14.1 mm -64.55 -38.93 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.79 110.069 179.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.42 -30.02 66.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.791 -0.641 . . . . 1.72 110.62 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.556 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 6.4 mm-40 -63.25 -27.25 69.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 2.84 111.871 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.663 HG11 ' SD ' ' B' ' 1' ' ' MET . 1.8 m -119.84 23.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.962 0.41 . . . . 1.31 110.693 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.54 113.91 19.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.59 110.155 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.39 -6.92 8.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.007 -0.542 . . . . 0.77 110.547 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.451 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -81.45 -19.5 42.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.332 -0.618 . . . . 0.74 109.332 178.657 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 19.44 48.73 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.626 -0.716 . . . . 0.9 114.209 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.489 HD22 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -100.95 -18.63 16.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.301 0.55 . . . . 0.65 110.971 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.06 51.57 10.1 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.737 -0.744 . . . . 0.55 112.354 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.489 ' HB ' HD22 ' A' ' 60' ' ' ASN . 90.4 m -164.53 135.16 4.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.603 0.361 . . . . 0.76 110.144 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.553 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 13.1 mt -74.0 101.32 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.4 -0.963 . . . . 1.08 108.4 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.71 179.32 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.512 -0.313 . . . . 0.52 111.255 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -69.59 -48.34 24.06 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.244 0.461 . . . . 1.38 112.244 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.26 -51.64 9.15 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.026 1.817 . . . . 0.7 112.066 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.43 -31.21 68.31 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.116 -0.493 . . . . 0.52 111.059 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.416 ' O ' ' HB2' ' A' ' 72' ' ' MET . 60.9 t80 -62.17 -37.44 85.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.074 -0.512 . . . . 1.74 110.371 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.38 -53.03 55.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.633 -0.712 . . . . 1.13 110.94 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -37.96 75.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 1.05 111.201 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.461 ' SD ' ' HB2' ' B' ' 4' ' ' LEU . 7.7 ttp -62.86 -42.29 99.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 1.24 110.392 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.705 ' SD ' HG12 ' B' ' 7' ' ' VAL . 3.4 tmm? -70.97 -42.96 69.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.992 -0.549 . . . . 2.24 110.726 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.04 69.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.369 0.604 . . . . 0.73 110.576 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.659 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 mtm180 -78.87 1.15 24.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.117 -0.947 . . . . 1.73 111.583 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.568 ' HZ1' ' HG ' ' B' ' 4' ' ' LEU . 0.2 OUTLIER -128.26 -20.23 3.76 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.859 -0.337 . . . . 1.49 111.619 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.492 ' SD ' ' HG3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -60.97 -47.51 86.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.059 0.457 . . . . 2.02 111.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.492 ' HG3' ' SD ' ' A' ' 76' ' ' MET . 40.7 mtmt -127.29 30.68 5.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.446 -0.576 . . . . 2.32 109.446 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.659 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 t0 -62.43 126.75 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.799 -0.637 . . . . 1.41 111.692 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 22.87 0.76 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.718 -1.128 . . . . 1.88 108.942 177.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -145.65 34.5 1.04 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.507 -0.769 . . . . 1.78 111.153 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -89.41 172.72 8.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.847 1.055 . . . . 1.35 113.847 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -136.38 -51.43 0.7 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.682 -1.145 . . . . 1.86 109.634 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.35 -30.01 16.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.875 -0.602 . . . . 2.7 111.62 -179.541 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -54.82 -37.68 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 1.27 111.757 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . . . . . . . . . 12.5 mt -57.37 -45.33 85.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.194 0.521 . . . . 2.16 111.095 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.62 -42.6 91.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.97 -0.559 . . . . 2.9 109.986 179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.472 ' HG3' ' CG ' ' B' ' 1' ' ' MET . 0.5 OUTLIER -46.25 -64.79 0.67 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.073 0.858 . . . . 1.47 112.002 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -24.52 66.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 111.793 0.294 . . . . 0.59 111.793 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -70.74 -42.83 70.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.53 -0.468 . . . . 1.01 110.166 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -74.53 -18.86 60.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.552 -0.749 . . . . 2.72 111.369 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.837 HG23 ' SG ' ' B' ' 5' ' ' CYS . 72.0 t -77.39 -33.53 19.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.409 -0.589 . . . . 0.85 109.409 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -88.37 -42.75 11.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.54 111.027 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.9 100.58 11.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.953 -0.567 . . . . 0.8 110.185 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -86.82 -29.15 22.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.046 -0.524 . . . . 2.12 112.055 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -75.01 -21.45 59.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.324 -0.55 . . . . 0.67 111.007 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.95 16.17 77.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.981 -0.628 . . . . 0.72 111.923 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -13.9 48.73 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.624 0.25 . . . . 0.86 110.549 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 37.27 18.29 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.661 -0.781 . . . . 0.6 113.352 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -149.96 109.69 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.554 0.342 . . . . 1.72 110.112 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.642 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 46.6 mt -80.19 135.49 25.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.444 0.164 . . . . 0.89 111.161 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.518 ' C ' ' H ' ' A' ' 103' ' ' ALA . 75.1 p -144.48 177.73 8.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.04 -0.356 . . . . 1.47 110.04 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.01 3.59 5.21 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.257 1.027 . . . . 1.37 110.341 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.518 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.09 -72.09 0.42 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.242 -1.799 . . . . 1.18 108.37 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.463 ' O ' HG22 ' A' ' 108' ' ' VAL . 3.1 mt-10 -72.27 -35.51 68.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.043 -0.98 . . . . 0.83 112.161 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.42 HD23 HG13 ' A' ' 121' ' ' VAL . 24.1 tp -61.69 -37.35 83.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.897 0.379 . . . . 1.0 111.665 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.406 HH11 ' HD2' ' A' ' 106' ' ' ARG . 28.5 ttm180 -63.63 -36.77 84.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.445 . . . . 1.42 110.183 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -69.06 -42.62 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 1.0 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.463 HG22 ' O ' ' A' ' 104' ' ' GLU . 19.7 t -71.21 -44.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.427 0.528 . . . . 0.73 112.427 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.12 86.67 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.901 0.382 . . . . 1.47 111.217 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 m -72.19 -23.55 61.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 0.75 110.237 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -78.07 -44.69 25.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 1.08 110.435 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 59.7 mt -63.72 -33.46 75.7 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.989 -0.551 . . . . 1.34 110.431 179.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.33 35.06 7.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.604 -0.808 . . . . 0.89 111.554 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 166.36 14.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 1.61 110.656 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 78.33 6.9 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.354 -0.61 . . . . 1.54 109.354 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.403 ' HG ' ' CB ' ' A' ' 120' ' ' GLU . 4.2 tp -150.63 117.33 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 1.55 109.968 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.91 -175.88 4.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.228 -0.286 . . . . 1.19 110.228 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.69 -44.06 97.0 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.727 0.299 . . . . 1.38 111.596 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -32.01 73.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 2.33 110.497 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' CB ' ' HG ' ' A' ' 116' ' ' LEU . 30.9 mm-40 -72.43 -41.34 66.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.362 -0.835 . . . . 1.86 109.647 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.42 HG13 HD23 ' A' ' 105' ' ' LEU . 24.5 t -58.94 -41.9 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.39 -0.823 . . . . 1.01 110.439 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.97 -42.16 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.359 . . . . 0.96 110.198 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.52 -46.34 86.97 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.198 0.523 . . . . 1.2 110.15 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.756 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 19.6 ttt -70.8 -34.88 72.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.267 -0.879 . . . . 1.33 110.417 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 -31.54 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 1.23 111.161 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.1 mtm105 -86.77 16.03 5.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.075 0.398 . . . . 1.07 112.075 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.576 ' OE1' ' HG3' ' A' ' 124' ' ' MET . 11.1 pt-20 -76.58 -48.05 20.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.367 -0.533 . . . . 2.04 110.388 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.451 ' N ' ' HG3' ' A' ' 127' ' ' GLU . . . -101.89 0.01 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.181 0.515 . . . . 1.31 110.5 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.2 91.87 2.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.87 109.929 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.5 mm -78.47 -34.88 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.545 -0.752 . . . . 1.12 111.745 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -81.37 -36.31 29.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.146 -0.479 . . . . 1.02 111.127 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.1 6.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.96 -0.638 . . . . 0.99 111.806 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -95.96 -14.09 23.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 1.02 110.61 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.77 12.02 61.18 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.846 -0.616 . . . . 0.91 112.339 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.642 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 65.8 mt-30 -134.65 116.66 15.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.81 -0.195 . . . . 1.58 110.933 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.29 112.52 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.003 -0.739 . . . . 0.93 109.003 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -90.25 -179.17 5.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 1.19 110.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -59.89 -51.92 67.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.568 0.581 . . . . 1.49 112.568 -178.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.69 -38.66 78.74 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.954 0.407 . . . . 2.6 110.817 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.582 ' O ' ' HB2' ' A' ' 144' ' ' MET . 49.8 mt-10 -64.43 -41.87 96.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.974 -0.557 . . . . 0.67 110.593 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.504 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 25.7 t80 -73.26 -38.71 65.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.441 . . . . 1.07 111.514 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 71.7 t -64.81 -48.42 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.095 0.474 . . . . 0.96 111.013 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -73.19 -6.02 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.73 111.899 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.582 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 3.1 tmm? -107.18 -36.66 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.5 0.556 . . . . 1.42 112.5 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.584 ' SD ' HG22 ' B' ' 8' ' ' THR . 2.0 ttp -104.47 -29.34 10.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.793 -0.567 . . . . 2.06 111.972 -178.537 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -97.46 -1.21 44.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.582 0.706 . . . . 1.3 110.744 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 1.49 110.608 -179.8 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.663 ' SD ' HG11 ' A' ' 55' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.428 0.632 . . . . 2.97 109.924 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -63.19 1.19 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.605 -1.179 . . . . 1.88 112.11 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.717 ' SG ' HD22 ' A' ' 32' ' ' LEU . 83.3 m -55.86 -29.09 59.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.737 -0.665 . . . . 0.67 112.691 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.568 ' HG ' ' HZ1' ' A' ' 75' ' ' LYS . 6.8 tp -82.15 -38.33 24.86 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.861 -0.524 . . . . 1.86 109.74 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.837 ' SG ' HG23 ' A' ' 91' ' ' VAL . 2.4 p -65.2 -27.99 69.07 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.067 -1.086 . . . . 0.7 108.067 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.801 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -64.17 -43.73 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 107.339 -1.356 . . . . 1.08 107.339 176.595 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.705 HG12 ' SD ' ' A' ' 72' ' ' MET . 20.3 t -64.17 -40.36 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.66 -0.7 . . . . 1.09 109.419 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.584 HG22 ' SD ' ' A' ' 145' ' ' MET . 2.1 m -64.61 -42.16 95.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.013 0.435 . . . . 1.04 110.04 178.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 57.8 m -62.19 -36.24 81.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 1.31 110.032 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.508 ' HZ2' ' HB3' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -76.95 -30.34 55.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 2.43 110.427 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -74.05 -40.22 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.915 -0.772 . . . . 1.84 108.915 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 93.1 t80 -66.9 -45.54 77.66 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.732 -0.84 . . . . 1.5 108.732 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.756 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 2.3 ttp85 -65.56 -23.3 66.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.089 -0.505 . . . . 3.52 110.552 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -81.88 -22.22 37.0 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.568 -0.531 . . . . 1.52 109.568 178.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.71 -36.83 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.545 -0.909 . . . . 1.6 108.545 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.28 -42.38 73.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.66 -0.7 . . . . 2.65 109.917 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -88.52 80.18 7.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.339 -0.846 . . . . 4.01 108.866 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -152.69 -28.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.828 -1.078 . . . . 3.44 110.027 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.141 -0.936 . . . . 4.48 110.097 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.465 HD23 ' SD ' ' A' ' 72' ' ' MET . 52.1 tp . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.379 -0.6 . . . . 2.12 109.379 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.749 ' HB ' ' OE1' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -80.76 154.16 27.38 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.938 0.399 . . . . 1.33 111.915 -179.307 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.99 -43.94 90.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.417 0.895 . . . . 1.97 113.417 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.749 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.92 -36.93 82.83 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.18 -0.608 . . . . 1.98 109.63 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -63.47 -48.38 77.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.471 -0.566 . . . . 1.82 109.471 177.385 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mm -51.38 -43.5 30.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.291 0.567 . . . . 1.3 109.588 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.49 90.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.169 -0.923 . . . . 0.94 110.478 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -66.22 -53.38 37.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.223 -0.444 . . . . 1.57 110.51 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -59.94 -28.85 67.98 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.315 -0.402 . . . . 2.21 111.214 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -58.27 -38.13 76.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.268 -0.641 . . . . 2.07 109.268 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.21 -34.13 72.54 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.64 110.198 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.405 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.94 -44.69 95.38 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.818 -0.808 . . . . 1.03 108.818 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -59.46 -38.03 79.72 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.231 -0.655 . . . . 1.64 109.231 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.2 m -67.89 -22.07 65.11 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.481 -0.782 . . . . 0.87 111.78 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -96.64 -36.23 10.78 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.606 -0.837 . . . . 2.03 110.737 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.748 ' CZ ' ' HA ' ' B' ' 3' ' ' CYS . 11.4 m-85 -68.68 -45.83 70.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.067 0.46 . . . . 0.66 110.326 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.98 133.6 36.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.591 . . . . 0.54 110.44 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -129.21 -5.79 4.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.036 -0.529 . . . . 0.95 111.525 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -100.06 -18.63 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.57 111.599 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.63 67.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.82 -0.705 . . . . 0.59 112.59 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.85 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.951 -0.389 . . . . 0.58 109.951 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.73 -3.5 78.16 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.022 -0.609 . . . . 0.74 113.932 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.4 152.16 30.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.888 0.344 . . . . 0.59 110.388 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.599 ' O ' HG23 ' A' ' 62' ' ' THR . 1.3 mp -83.59 121.27 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.64 111.527 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -103.42 173.72 6.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.392 -0.595 . . . . 0.47 109.392 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -76.86 -31.55 56.9 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.429 0.633 . . . . 0.85 109.472 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -29.78 56.31 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.371 -0.831 . . . . 2.59 111.947 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 23.6 mt-10 -71.72 -57.69 4.14 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 121.555 -0.716 . . . . 0.49 110.329 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.777 HD22 ' SG ' ' B' ' 3' ' ' CYS . 7.4 mp -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.87 110.566 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.72 -36.04 77.12 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.168 -0.539 . . . . 0.5 112.522 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.81 111.155 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 t -66.95 -44.09 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.352 . . . . 0.95 110.065 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mtm -63.69 -18.83 64.4 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.491 0.662 . . . . 1.38 110.743 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.53 -42.17 14.65 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.576 -0.738 . . . . 2.29 110.127 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -72.46 -8.61 55.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 1.01 111.393 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -87.34 -3.55 59.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.96 109.984 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.78 31.55 9.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.929 -0.653 . . . . 0.89 112.852 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -133.33 153.91 51.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.767 0.317 . . . . 1.44 110.195 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -124.95 92.19 48.06 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.289 -0.414 . . . . 1.59 110.469 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -91.36 132.04 1.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.297 2.665 . . . . 0.9 111.193 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 p -89.7 -176.2 4.9 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.96 -0.296 . . . . 1.31 110.695 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.27 -44.94 16.93 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.684 0.794 . . . . 2.18 113.135 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -38.23 79.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.952 0.353 . . . . 0.82 111.952 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -71.29 -41.34 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.912 -0.403 . . . . 1.57 109.912 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.421 ' O ' HG12 ' A' ' 52' ' ' ILE . 31.8 mt -63.06 -25.47 68.39 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.92 111.912 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -89.68 -38.92 13.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.723 -0.473 . . . . 1.53 109.723 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -42.47 79.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.125 -0.943 . . . . 1.38 109.451 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt -58.09 -47.25 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.376 -0.829 . . . . 1.97 110.933 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.421 HG12 ' O ' ' A' ' 48' ' ' LEU . 30.3 mm -69.7 -40.26 79.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.458 -0.792 . . . . 0.79 110.866 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -57.52 -32.13 66.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.559 -0.291 . . . . 1.72 111.437 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.37 -18.58 64.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.598 -0.274 . . . . 2.84 111.538 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.644 HG13 ' SD ' ' A' ' 71' ' ' MET . 57.3 t -110.3 -34.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.271 0.557 . . . . 1.31 110.305 179.878 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -67.13 126.09 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.308 -0.86 . . . . 0.59 111.108 -178.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.34 -20.49 5.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.696 -0.684 . . . . 0.77 110.4 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -16.4 55.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.812 -0.631 . . . . 0.74 111.284 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.36 53.67 4.04 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.751 -0.738 . . . . 0.9 112.285 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -27.7 2.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.748 0.309 . . . . 0.65 110.323 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 82.23 52.25 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.55 112.734 179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.599 HG23 ' O ' ' A' ' 27' ' ' ILE . 41.5 m -163.84 134.34 4.36 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 122.312 0.245 . . . . 0.76 110.696 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.496 ' HB ' ' HB ' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.43 84.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 108.841 -0.8 . . . . 1.08 108.841 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.3 p30 -83.55 176.08 9.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52 110.134 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.49 -51.19 53.1 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.592 0.59 . . . . 1.38 112.592 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -50.03 -47.48 23.52 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.916 1.744 . . . . 0.7 112.225 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -72.74 -30.94 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.561 -0.29 . . . . 0.52 110.65 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' O ' ' HB2' ' A' ' 72' ' ' MET . 33.9 t80 -61.16 -38.55 86.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.406 -0.59 . . . . 1.74 109.406 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.33 -54.89 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 1.13 110.263 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -56.77 -51.33 69.32 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.015 -0.539 . . . . 1.05 111.047 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.644 ' SD ' HG13 ' A' ' 55' ' ' VAL . 1.6 ttp -60.27 -39.88 88.41 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.387 1.054 . . . . 1.24 110.41 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.5 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 10.4 ttm -64.03 -46.04 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 2.24 110.678 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.16 -29.72 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.12 0.486 . . . . 0.73 110.801 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.59 -19.64 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.802 -0.636 . . . . 1.73 110.936 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.475 ' HB3' ' CG1' ' B' ' 7' ' ' VAL . 0.1 OUTLIER -114.91 -14.49 11.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.655 0.264 . . . . 1.49 111.276 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.5 ttm -55.13 -47.67 74.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.34 -0.615 . . . . 2.02 109.34 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -123.44 56.73 1.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.276 -0.875 . . . . 2.32 109.337 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.61 105.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.618 . . . . 1.41 110.825 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.7 p -131.5 5.54 4.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.097 -0.956 . . . . 1.88 109.039 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.0 43.06 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.161 -1.381 . . . . 1.78 108.114 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.408 ' HB3' ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -62.15 80.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.212 -1.358 . . . . 1.35 114.354 -178.052 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -96.7 -73.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 1.86 108.921 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.71 -22.01 18.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.544 -0.91 . . . . 2.7 108.544 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -57.84 -51.15 70.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.642 -1.163 . . . . 1.27 111.309 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.458 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 1.3 tp -64.14 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 2.16 110.658 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -70.77 -43.95 67.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.007 -0.542 . . . . 2.9 109.791 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.04 -55.52 26.6 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.47 111.981 178.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.3 -24.52 65.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.542 0.21 . . . . 0.59 111.392 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.6 t80 -72.51 -32.89 66.52 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.208 -0.664 . . . . 1.01 109.208 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -83.1 -29.21 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 2.72 111.966 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.524 HG23 ' CB ' ' B' ' 5' ' ' CYS . 78.1 t -72.81 -30.67 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.85 110.146 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' HB2' HD13 ' A' ' 100' ' ' ILE . 13.1 m-85 -88.6 -40.09 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.54 110.682 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.43 94.32 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.43 -0.581 . . . . 0.8 109.43 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -87.4 -20.07 27.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 2.12 111.671 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -80.36 -18.84 47.9 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.198 -0.601 . . . . 0.67 110.763 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.22 61.82 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.983 -0.627 . . . . 0.72 112.374 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.491 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -97.78 -20.34 17.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.43 0.157 . . . . 0.86 111.321 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.28 60.72 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.623 -0.798 . . . . 0.6 113.592 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.491 ' HB2' HD22 ' A' ' 97' ' ' ASN . 39.3 m-85 -126.81 111.19 13.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 122.348 -0.501 . . . . 1.72 111.182 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . 0.431 HD13 ' HB2' ' A' ' 92' ' ' PHE . 52.6 mt -83.92 146.29 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.629 -0.714 . . . . 0.89 110.499 -179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.55 ' C ' ' H ' ' A' ' 103' ' ' ALA . 97.5 p -159.01 -174.03 4.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.809 -0.178 . . . . 1.47 110.538 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.77 4.36 1.15 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.942 0.877 . . . . 1.37 110.916 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.55 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -79.55 -74.28 0.3 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.053 -1.431 . . . . 1.18 109.917 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -30.55 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 0.83 112.413 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 46.1 tp -61.05 -34.4 74.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 1.0 110.619 -179.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -65.63 -38.83 90.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 1.42 109.854 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.47 -54.89 21.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.967 -0.56 . . . . 1.0 111.449 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.95 -40.9 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.872 0.323 . . . . 0.73 111.872 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.29 88.9 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.038 0.446 . . . . 1.47 110.783 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.6 m -77.65 -32.21 53.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.523 -0.762 . . . . 0.75 110.551 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -70.14 -39.87 75.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.577 -0.738 . . . . 1.08 110.485 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.08 -33.16 75.13 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.364 0.602 . . . . 1.34 109.693 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.97 38.06 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.247 -0.888 . . . . 0.89 112.993 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.6 170.85 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.174 0.487 . . . . 1.61 110.184 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -87.75 12.68 12.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 1.54 111.121 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.28 111.89 19.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.24 0.543 . . . . 1.55 110.907 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -176.51 5.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.688 -0.687 . . . . 1.19 110.134 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -54.85 -52.33 63.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.601 0.593 . . . . 1.38 112.601 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.15 -29.77 69.57 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.143 -0.223 . . . . 2.33 110.717 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.8 -32.95 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.86 109.848 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -68.45 -40.96 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.603 -0.726 . . . . 1.01 109.566 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.88 -38.2 73.05 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.96 110.051 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.436 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 4.1 tp10 -63.17 -50.92 68.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.143 -0.48 . . . . 1.2 110.959 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.687 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.2 ttt -65.84 -36.61 83.94 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.501 -0.318 . . . . 1.33 110.723 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -49.72 -27.13 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.815 0.672 . . . . 1.23 112.815 -179.495 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.436 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 14.3 mtm105 -88.2 18.29 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.385 0.883 . . . . 1.07 113.385 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -40.5 17.82 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.489 -0.56 . . . . 2.04 109.489 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.98 -12.8 22.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.49 -0.777 . . . . 1.31 111.181 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.6 105.01 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 0.87 110.574 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.3 mm -109.28 -1.82 9.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 1.12 110.481 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -103.78 -28.36 11.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.402 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.87 48.42 3.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.622 -0.799 . . . . 0.99 112.645 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -126.8 -12.56 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.653 0.263 . . . . 1.02 111.384 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.03 13.76 82.67 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.997 -0.621 . . . . 0.91 113.036 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.413 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 52.4 mt-30 -129.34 113.52 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.712 -0.477 . . . . 1.58 109.712 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 83.3 t -81.39 106.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.175 -0.466 . . . . 0.93 110.433 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -85.1 179.73 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.97 -0.292 . . . . 1.19 110.873 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -53.14 -55.41 24.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.838 -0.619 . . . . 1.49 111.482 -179.481 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -52.99 -47.54 68.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 2.6 111.754 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . 0.541 ' O ' ' HB2' ' A' ' 144' ' ' MET . 48.0 mt-10 -64.39 -38.3 90.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.955 -0.566 . . . . 0.67 111.306 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 5.2 t80 -71.72 -42.27 67.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 1.07 110.528 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 99.5 t -66.88 -48.83 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.381 -0.372 . . . . 0.96 111.563 179.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.99 -4.8 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.885 0.374 . . . . 1.73 111.456 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.541 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -110.92 -38.4 5.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 1.42 111.529 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.672 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -80.54 -48.23 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.621 -0.263 . . . . 2.06 111.208 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -74.13 -32.24 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.3 111.149 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 1.49 110.756 179.709 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.402 0.62 . . . . 2.97 109.491 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -57.1 8.11 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.686 -1.143 . . . . 1.88 111.777 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.777 ' SG ' HD22 ' A' ' 32' ' ' LEU . 65.5 m -60.31 -33.04 71.82 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.569 . . . . 0.67 111.43 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.476 HD22 ' CG ' ' A' ' 71' ' ' MET . 2.1 tp -77.02 -39.34 50.55 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.797 -0.183 . . . . 1.86 110.722 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.524 ' CB ' HG23 ' A' ' 91' ' ' VAL . 16.0 p -66.13 -23.66 66.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.734 -0.839 . . . . 0.7 108.734 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.702 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -69.01 -42.62 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.185 -1.413 . . . . 1.08 107.185 176.097 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.574 HG21 ' O ' ' B' ' 3' ' ' CYS . 14.5 t -61.71 -40.36 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.791 -0.64 . . . . 1.09 109.645 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.672 HG23 ' SD ' ' A' ' 145' ' ' MET . 0.9 OUTLIER -67.57 -45.77 74.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 1.04 110.003 178.273 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 90.8 m -60.63 -37.03 80.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.322 -0.622 . . . . 1.31 109.322 178.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.4 -39.18 85.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.696 -0.684 . . . . 2.43 110.464 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -69.71 -43.3 72.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 1.84 109.847 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.0 t80 -64.66 -41.11 96.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.787 -0.642 . . . . 1.5 109.596 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.687 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -70.79 -25.22 62.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.864 . . . . 3.52 110.793 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -80.87 -25.19 37.83 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.278 -0.638 . . . . 1.52 109.278 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -18.11 62.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.54 -0.755 . . . . 1.6 109.704 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -26.96 68.41 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.73 -0.841 . . . . 2.65 108.73 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.5 76.44 5.0 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.713 -1.13 . . . . 4.01 109.492 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -144.55 -67.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.351 0.5 . . . . 3.44 112.351 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.867 0 CA-C-O 119.033 -0.508 . . . . 4.48 112.175 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 5' ' ' THR . 14.2 tp . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.607 0.241 . . . . 2.12 110.79 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.455 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -70.22 141.98 52.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.949 -0.569 . . . . 1.33 110.178 178.689 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.83 -37.64 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 1.97 111.321 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.447 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 2.2 mp0 -57.06 -50.77 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 1.98 110.176 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.78 -48.04 80.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.549 -0.75 . . . . 1.82 110.304 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 mm -50.19 -44.74 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 120.938 0.399 . . . . 1.3 110.308 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.692 -0.685 . . . . 0.94 110.835 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.46 ' CD ' ' HZ1' ' B' ' 10' ' ' LYS . 50.2 mt-10 -66.26 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.517 -0.31 . . . . 1.57 110.628 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.19 -30.55 69.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.799 0.333 . . . . 2.21 110.58 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.519 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 20.0 ttpt -57.75 -38.67 75.78 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.245 -0.65 . . . . 2.07 109.245 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.432 ' OE2' ' HA ' ' A' ' 11' ' ' GLU . 30.1 mt-10 -69.17 -38.8 78.89 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.443 -0.799 . . . . 1.64 109.202 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.29 86.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.623 -0.717 . . . . 1.03 109.611 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -57.51 -42.9 83.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.206 -0.452 . . . . 1.64 110.274 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 m -65.99 -14.31 61.4 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.326 0.584 . . . . 0.87 110.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -94.03 -53.8 3.84 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.548 -0.751 . . . . 2.03 110.803 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.784 ' CE2' HD12 ' B' ' 6' ' ' ILE . 33.1 m-85 -64.01 -41.58 97.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.906 0.384 . . . . 0.66 111.181 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.92 133.38 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.94 -0.573 . . . . 0.54 110.783 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -129.91 19.1 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.95 111.154 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -126.6 -23.99 3.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.865 -0.334 . . . . 0.57 111.786 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.05 3.95 57.79 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.984 -0.627 . . . . 0.59 113.174 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -80.49 -38.55 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.769 -0.254 . . . . 0.58 110.873 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.71 -23.76 23.35 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.674 -0.774 . . . . 0.74 113.551 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.0 m -89.55 138.54 31.37 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.038 0.447 . . . . 0.59 110.708 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.46 HG22 HD13 ' A' ' 63' ' ' ILE . 1.1 mp -76.82 124.77 35.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.64 110.924 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -112.56 -178.91 3.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.895 -0.78 . . . . 0.47 108.895 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 -31.73 21.56 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.018 0.437 . . . . 0.85 111.179 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -75.19 -19.22 59.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 2.59 111.095 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -82.83 -53.89 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.457 0.473 . . . . 0.49 110.329 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.713 HD22 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -63.73 -31.92 73.25 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.433 0.458 . . . . 0.87 111.044 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.77 -31.23 71.04 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 121.0 -0.619 . . . . 0.5 112.618 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -61.67 -42.54 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.63 0.252 . . . . 0.81 110.939 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 39.6 t -61.49 -46.58 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 O-C-N 122.262 -0.273 . . . . 0.95 111.251 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.576 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 32.0 ttm -65.06 -15.34 62.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.147 0.499 . . . . 1.38 110.702 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.556 ' HB3' ' O ' ' A' ' 34' ' ' THR . 13.1 ttp180 -77.2 -44.08 31.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.58 -0.737 . . . . 2.29 109.221 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.06 -13.87 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.64 -0.709 . . . . 1.01 111.242 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -85.14 4.36 34.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 0.96 110.444 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.49 24.42 67.97 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.89 112.319 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -124.88 168.0 13.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.154 -0.684 . . . . 1.44 109.154 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -158.34 94.09 1.97 Allowed Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.65 -0.42 . . . . 1.59 112.068 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.576 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 60.0 Cg_endo -84.5 149.8 11.57 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.562 2.175 . . . . 0.9 112.361 177.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.2 p -90.34 179.06 5.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.885 -0.598 . . . . 1.31 109.65 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -45.88 -59.26 2.92 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.044 0.387 . . . . 2.18 112.044 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.87 57.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.543 0.572 . . . . 0.82 112.543 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.34 -41.62 39.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.256 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.21 -34.68 75.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.92 111.134 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -33.7 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.36 -0.608 . . . . 1.53 109.36 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -55.67 -42.58 75.29 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.082 -0.963 . . . . 1.38 109.782 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.5 -39.83 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.101 -0.954 . . . . 1.97 110.078 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.18 -40.77 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.79 111.105 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -26.94 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.523 0.515 . . . . 1.72 111.639 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.99 -21.11 64.17 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.898 0.38 . . . . 2.84 110.704 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.38 -43.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.104 0.478 . . . . 1.31 110.551 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -67.34 122.16 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.59 111.603 -178.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.87 -11.13 8.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.845 0.355 . . . . 0.77 110.609 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.564 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.07 -27.0 35.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.665 -0.414 . . . . 0.74 110.161 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 21.89 17.86 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.829 -0.7 . . . . 0.9 112.719 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.574 HD22 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -98.37 -28.95 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.001 0.429 . . . . 0.65 110.818 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.66 45.19 6.52 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.653 -0.784 . . . . 0.55 112.534 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.574 ' HB ' HD22 ' A' ' 60' ' ' ASN . 99.4 m -158.31 128.3 5.98 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.851 -0.205 . . . . 0.76 110.601 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.46 HD13 HG22 ' A' ' 27' ' ' ILE . 10.9 mt -67.52 96.52 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.602 -0.888 . . . . 1.08 108.602 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.8 p30 -100.78 -178.61 3.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.52 112.018 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.38 -50.15 29.09 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.174 -0.466 . . . . 1.38 111.773 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.72 -49.32 17.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.608 1.538 . . . . 0.7 111.837 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.93 -31.54 72.2 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.261 -0.427 . . . . 0.52 110.867 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.9 t80 -65.38 -37.04 85.81 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.541 0.526 . . . . 1.74 110.231 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.22 -56.88 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.542 . . . . 1.13 110.382 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -64.93 -37.09 86.48 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.841 -0.618 . . . . 1.05 111.172 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.458 ' HG2' ' CD1' ' B' ' 4' ' ' LEU . 7.4 ttp -64.54 -45.37 87.44 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.362 -0.381 . . . . 1.24 110.707 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ttm -65.33 -39.51 92.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.422 -0.354 . . . . 2.24 110.89 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.71 85.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.655 -0.248 . . . . 0.73 111.018 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . 0.482 ' HD3' ' OE2' ' A' ' 84' ' ' GLU . 3.3 ttm180 -62.17 -37.09 83.91 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.282 -0.417 . . . . 1.73 110.464 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.538 ' CE ' ' HG ' ' B' ' 4' ' ' LEU . 2.8 tppt? -90.16 -10.09 45.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.414 -0.514 . . . . 1.49 111.018 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' MET . . . . . 0.54 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 25.0 ttm -66.76 -48.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.971 0.415 . . . . 2.02 110.208 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.54 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 43.8 mtmt -136.32 57.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 2.32 111.492 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.59 136.62 45.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.243 -0.28 . . . . 1.41 110.243 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 p -137.17 20.13 2.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.643 0.735 . . . . 1.88 110.356 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.55 -46.76 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.97 -1.014 . . . . 1.78 108.695 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m 55.33 53.01 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.733 1.382 . . . . 1.35 114.733 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.415 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . 4.9 tp10 -83.83 -76.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.035 -0.728 . . . . 1.86 109.035 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . 0.415 ' OE1' ' HB3' ' A' ' 82' ' ' GLU . 3.1 pm0 -90.79 -15.35 30.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.7 110.621 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.482 ' OE2' ' HD3' ' A' ' 74' ' ' ARG . 15.2 mm-40 -57.46 -60.47 3.6 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.809 -0.632 . . . . 1.27 111.958 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.437 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 24.6 mt -64.52 -31.27 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.381 -0.827 . . . . 2.16 110.974 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -65.33 -51.46 60.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 2.9 110.776 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.4 ' O ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -55.93 -50.34 70.99 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.975 -0.557 . . . . 1.47 112.456 179.505 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.05 64.57 Favored 'General case' 0 N--CA 1.457 -0.099 0 O-C-N 121.871 -0.518 . . . . 0.59 111.36 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.437 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.059 -0.719 . . . . 1.01 109.059 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.22 -23.51 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 2.72 111.671 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.672 HG23 ' SG ' ' B' ' 5' ' ' CYS . 63.0 t -80.48 -40.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 0.85 110.228 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -79.72 -42.47 24.57 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.54 -0.3 . . . . 0.54 110.791 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.63 85.61 6.0 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.8 110.999 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -64.69 -26.62 68.46 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.183 -0.917 . . . . 2.12 111.714 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -85.54 -24.73 27.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.33 -0.548 . . . . 0.67 110.973 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.16 25.54 66.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.879 -0.677 . . . . 0.72 112.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.58 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -86.92 -23.62 25.1 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.591 -0.359 . . . . 0.86 111.317 -179.726 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.74 8.46 37.12 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.732 -0.747 . . . . 0.6 113.099 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.58 ' HB2' HD22 ' A' ' 97' ' ' ASN . 20.4 m-85 -131.16 106.88 8.63 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 122.754 -0.263 . . . . 1.72 110.618 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.1 mt -86.1 139.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.89 110.411 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.537 ' C ' ' H ' ' A' ' 103' ' ' ALA . 25.8 p -150.33 -175.84 5.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.15 -0.315 . . . . 1.47 110.15 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.04 -0.85 3.49 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.177 0.989 . . . . 1.37 110.075 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.537 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.25 -76.02 0.11 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.534 -1.666 . . . . 1.18 109.005 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.05 -31.71 50.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.6 0.963 . . . . 0.83 113.6 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.31 -37.69 81.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.026 0.441 . . . . 1.0 111.248 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.42 HH11 ' HD2' ' A' ' 106' ' ' ARG . 27.7 ttm180 -59.54 -36.49 76.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.699 -0.682 . . . . 1.42 110.697 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -68.48 -47.59 66.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.945 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.79 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.23 0.331 . . . . 0.73 110.589 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -38.26 71.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.094 0.473 . . . . 1.47 111.026 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -80.43 -28.82 37.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.696 0.76 . . . . 0.75 110.785 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -43.54 68.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.238 -0.892 . . . . 1.08 111.048 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -69.99 -33.33 71.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 1.34 110.147 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.11 46.05 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.815 -0.707 . . . . 0.89 112.605 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.15 -178.98 7.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.164 0.507 . . . . 1.61 110.324 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -96.44 34.9 1.55 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.366 -0.833 . . . . 1.54 110.838 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.38 120.58 37.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.996 0.427 . . . . 1.55 111.615 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 p -89.18 -170.54 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.749 -0.659 . . . . 1.19 110.168 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -56.95 13.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.31 0.485 . . . . 1.38 112.31 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.49 -26.37 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 2.33 111.274 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -75.7 -47.33 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.216 -0.447 . . . . 1.86 110.496 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.42 -43.94 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.454 0.645 . . . . 1.01 109.317 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -63.08 -45.4 92.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.931 -1.031 . . . . 0.96 110.544 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.549 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.8 tp10 -63.53 -44.56 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 1.2 111.053 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.793 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -62.9 -45.7 91.26 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.996 -0.547 . . . . 1.33 111.527 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -48.87 -25.99 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.596 0.962 . . . . 1.23 113.596 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.549 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 30.7 mtm105 -89.91 24.05 2.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.079 0.399 . . . . 1.07 112.079 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.434 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -92.19 -43.35 9.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.151 0.5 . . . . 2.04 109.88 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.434 ' N ' ' HG2' ' A' ' 127' ' ' GLU . . . -103.4 -12.66 17.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.97 -0.559 . . . . 1.31 110.693 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -78.11 89.04 4.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.632 . . . . 0.87 110.699 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.8 mm -80.54 -27.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.794 -0.639 . . . . 1.12 112.419 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -84.26 -12.34 54.88 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.242 -0.286 . . . . 1.02 111.482 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.2 42.44 94.28 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.818 -0.706 . . . . 0.99 112.396 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.49 -15.1 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.516 -0.402 . . . . 1.02 111.203 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.83 -4.93 63.66 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.347 -0.93 . . . . 0.91 113.182 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -121.14 119.76 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.201 0.5 . . . . 1.58 111.296 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.2 t -86.53 107.41 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.126 -0.694 . . . . 0.93 109.126 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -87.18 178.88 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.434 -0.348 . . . . 1.19 110.654 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.533 ' O ' HG22 ' A' ' 142' ' ' VAL . 2.4 t80 -52.39 -47.29 66.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.49 112.328 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.11 -44.61 96.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 2.6 110.939 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.16 -32.22 73.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.837 -0.62 . . . . 0.67 111.592 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 30.0 t80 -77.96 -39.23 43.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.537 -0.301 . . . . 1.07 111.167 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 138' ' ' TYR . 90.6 t -60.76 -47.77 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.309 0.576 . . . . 0.96 110.968 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.5 ' O ' ' HB1' ' A' ' 147' ' ' ALA . 75.5 mt-30 -67.13 -16.66 64.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.623 -0.717 . . . . 1.73 111.911 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.417 ' SD ' ' HB3' ' B' ' 15' ' ' GLN . 0.8 OUTLIER -97.89 -39.56 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.428 0.529 . . . . 1.42 112.428 -178.762 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.602 ' SD ' HG22 ' B' ' 8' ' ' THR . 17.6 ttp -87.09 -48.81 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.085 -0.646 . . . . 2.06 112.043 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.827 0.346 . . . . 1.3 111.059 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . 0.5 ' HB1' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.049 -0.523 . . . . 1.49 110.45 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.9 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 121.715 0.769 . . . . 2.97 109.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.413 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.08 -48.26 73.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.634 -1.166 . . . . 1.88 111.424 -179.564 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.731 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 59.6 m -63.5 -31.68 72.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.67 110.958 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.538 ' HG ' ' CE ' ' A' ' 75' ' ' LYS . 4.7 tp -78.17 -33.23 50.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 1.86 109.967 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.672 ' SG ' HG23 ' A' ' 91' ' ' VAL . 1.6 p -67.13 -27.55 67.41 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.133 -1.062 . . . . 0.7 108.133 178.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.784 HD12 ' CE2' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -68.15 -39.89 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.65 -1.241 . . . . 1.08 107.65 176.712 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.535 HG21 ' O ' ' B' ' 3' ' ' CYS . 10.9 t -63.62 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 N-CA-C 108.562 -0.903 . . . . 1.09 108.562 177.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.602 HG22 ' SD ' ' A' ' 145' ' ' MET . 4.3 m -69.4 -41.43 76.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.834 -0.621 . . . . 1.04 110.07 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -62.02 -35.91 79.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.875 -0.602 . . . . 1.31 109.828 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.46 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 0.3 OUTLIER -72.01 -43.82 64.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.873 -0.603 . . . . 2.43 110.205 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 10.0 tmtt? -60.5 -40.82 92.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.451 0.643 . . . . 1.84 109.488 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.41 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 70.1 t80 -72.71 -31.6 65.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.229 -0.896 . . . . 1.5 110.07 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.793 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 16.5 ttp85 -87.07 -2.87 58.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.265 0.555 . . . . 3.52 110.705 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -102.78 -23.11 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.261 -0.882 . . . . 1.52 110.376 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.506 ' O ' ' HB2' ' B' ' 18' ' ' ASP . 2.2 tp60 -79.19 -21.17 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.64 -1.164 . . . . 1.6 111.455 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -64.07 -24.72 67.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.051 0.453 . . . . 2.65 109.873 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -86.75 31.61 0.68 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.8 -0.636 . . . . 4.01 110.398 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . 0.506 ' HB2' ' O ' ' B' ' 15' ' ' GLN . 7.2 t70 -82.01 -53.83 5.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.83 0.678 . . . . 3.44 112.83 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.252 1.188 0 CA-C-O 119.131 -0.461 . . . . 4.48 111.26 -178.331 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.411 ' HG ' ' N ' ' A' ' 5' ' ' THR . 58.3 tp . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.891 0.377 . . . . 2.12 110.921 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.411 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.34 128.11 35.36 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.342 -0.844 . . . . 1.33 111.1 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -56.4 -39.79 73.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 1.97 110.7 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.415 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 4.7 mp0 -57.53 -43.67 84.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.813 -0.63 . . . . 1.98 111.426 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.08 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.616 -0.513 . . . . 1.82 109.616 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.9 mm -54.56 -42.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.277 -0.42 . . . . 1.3 110.643 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.481 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -63.78 -38.36 90.82 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.241 -0.436 . . . . 0.94 110.177 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 60.2 mt-10 -64.5 -46.03 84.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 1.57 109.873 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.86 -26.45 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 2.21 110.621 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.481 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 5.9 ttpt -59.77 -41.74 91.75 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.291 -0.633 . . . . 2.07 109.291 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.0 -41.05 95.75 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.068 -0.716 . . . . 1.64 109.068 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.506 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.51 -48.68 78.49 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-N 115.646 -0.707 . . . . 1.03 110.47 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -54.18 -42.61 69.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.193 0.52 . . . . 1.64 109.786 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 m -65.77 -28.05 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.42 -0.809 . . . . 0.87 111.843 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp -88.07 -39.08 14.9 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.315 -0.554 . . . . 2.03 111.464 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.779 ' CE2' HD12 ' B' ' 6' ' ' ILE . 24.1 m-85 -69.72 -40.68 76.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.543 0.611 . . . . 0.66 110.409 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.24 139.16 37.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.575 -0.739 . . . . 0.54 110.754 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -138.32 26.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.95 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -130.41 -27.02 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.85 -0.34 . . . . 0.57 111.564 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.41 8.01 56.56 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.271 -0.966 . . . . 0.59 111.788 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -32.5 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.693 0.283 . . . . 0.58 110.464 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.03 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.71 -0.757 . . . . 0.74 113.631 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.75 152.58 24.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.034 0.417 . . . . 0.59 111.45 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.442 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.4 mp -91.33 122.35 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.64 110.903 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -103.18 175.54 5.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.097 -1.075 . . . . 0.47 108.097 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -29.57 31.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.343 0.592 . . . . 0.85 109.633 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.7 -28.65 61.84 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.396 -0.82 . . . . 2.59 111.93 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.42 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 28.9 mt-10 -71.86 -51.89 20.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.122 0.487 . . . . 0.49 110.661 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.817 HD23 ' SG ' ' B' ' 3' ' ' CYS . 8.5 mp -69.01 -26.68 65.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.655 -0.702 . . . . 0.87 111.251 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.58 -39.91 97.12 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.01 -0.614 . . . . 0.5 111.754 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' THR . . . . . 0.419 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -59.84 -42.48 93.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.596 -0.302 . . . . 0.81 110.886 179.351 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.0 -37.01 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.956 0.408 . . . . 0.95 110.144 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 ttm -67.03 -15.39 63.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.439 0.638 . . . . 1.38 110.245 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.419 ' HB3' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -85.14 -36.41 21.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.018 -0.992 . . . . 2.29 109.35 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.6 -18.86 65.64 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.723 -0.671 . . . . 1.01 110.242 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.529 ' O ' ' HE2' ' A' ' 94' ' ' LYS . 89.7 mt -78.78 -0.21 29.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.96 111.294 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.72 23.2 56.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.857 -0.687 . . . . 0.89 112.598 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -129.84 139.24 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.161 -0.311 . . . . 1.44 110.161 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -119.43 94.59 48.56 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-O 120.737 0.303 . . . . 1.59 111.377 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.45 149.45 7.65 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.305 2.67 . . . . 0.9 111.736 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 p -96.88 -179.56 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.255 -0.278 . . . . 1.31 110.96 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -51.03 -30.52 15.63 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.531 0.567 . . . . 2.18 112.531 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.99 -50.29 29.97 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.425 0.631 . . . . 0.82 110.33 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.76 -39.55 73.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.043 -0.98 . . . . 1.57 110.971 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.437 ' O ' HG12 ' A' ' 52' ' ' ILE . 42.0 mt -64.26 -33.46 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.381 0.512 . . . . 0.92 112.381 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -84.13 -28.73 27.26 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.628 -0.878 . . . . 1.53 108.628 -179.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.78 -42.74 97.69 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.857 -1.065 . . . . 1.38 110.471 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.459 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 19.2 mmt -58.73 -42.15 88.08 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.808 -0.633 . . . . 1.97 109.938 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.437 HG12 ' O ' ' A' ' 48' ' ' LEU . 27.7 mm -69.8 -37.47 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.364 -0.835 . . . . 0.79 110.694 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.61 -33.0 67.77 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.385 -0.371 . . . . 1.72 111.234 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.06 -33.98 76.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.233 0.54 . . . . 2.84 109.666 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . 0.525 HG11 ' SD ' ' A' ' 71' ' ' MET . 90.6 t -87.26 -39.84 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 1.31 110.564 179.62 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.39 137.6 56.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.202 -0.908 . . . . 0.59 112.498 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.16 -13.3 2.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.262 -0.881 . . . . 0.77 110.558 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.518 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -85.92 -21.5 27.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.74 110.424 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.06 29.05 13.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.99 -0.624 . . . . 0.9 112.759 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.518 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -104.43 -28.4 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.211 0.506 . . . . 0.65 111.28 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.19 43.39 7.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.493 -0.861 . . . . 0.55 112.297 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . 0.469 ' HB ' HD22 ' A' ' 60' ' ' ASN . 90.1 m -157.24 129.21 7.16 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 122.351 0.26 . . . . 0.76 110.328 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.442 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 11.3 mt -70.15 98.18 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 115.908 -0.587 . . . . 1.08 109.6 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.49 -178.71 3.74 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.968 -0.56 . . . . 0.52 111.645 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.444 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.4 t80 -68.71 -50.14 25.7 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.278 0.473 . . . . 1.38 112.278 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.444 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 72.4 Cg_exo -48.96 -50.9 11.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.822 1.681 . . . . 0.7 112.486 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -71.28 -25.7 62.56 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.684 -0.235 . . . . 0.52 111.21 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.96 -40.15 95.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 1.74 109.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.59 -53.08 59.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 1.13 110.09 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -44.44 93.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.333 -0.394 . . . . 1.05 111.293 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.525 ' SD ' HG11 ' A' ' 55' ' ' VAL . 5.5 ttp -60.54 -47.15 87.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 1.24 110.974 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.601 ' SD ' HG12 ' B' ' 7' ' ' VAL . 3.8 tmm? -66.48 -46.41 76.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.974 -0.557 . . . . 2.24 110.952 -178.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.95 64.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.82 0.343 . . . . 0.73 111.39 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -58.85 -37.74 77.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.526 -0.761 . . . . 1.73 111.204 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.528 ' HA ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 tppt? -93.29 -28.66 16.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.658 0.266 . . . . 1.49 111.22 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ttm -51.04 -41.12 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 2.02 110.195 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.82 46.77 2.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.37 -0.832 . . . . 2.32 109.59 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.528 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 56.8 t0 -71.86 99.15 2.14 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.125 -0.943 . . . . 1.41 111.094 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.0 p -140.6 17.62 2.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.214 1.007 . . . . 1.88 108.523 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.26 30.11 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.996 -1.456 . . . . 1.78 108.111 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 2.5 m -36.71 104.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 113.576 -1.647 . . . . 1.35 114.307 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -98.24 -68.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 1.86 109.42 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -106.33 -12.97 15.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.352 -0.84 . . . . 2.7 109.812 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -52.2 -49.23 64.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.047 -0.979 . . . . 1.27 112.181 -179.121 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.641 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 6.9 mt -56.91 -41.99 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 O-C-N 123.256 0.348 . . . . 2.16 110.978 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -52.39 42.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.28 0.363 . . . . 2.9 111.166 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -55.81 17.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.117 -0.492 . . . . 1.47 111.667 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.84 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.077 -0.39 . . . . 0.59 111.452 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.641 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -77.26 -37.16 53.62 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 120.937 -0.305 . . . . 1.01 110.679 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -71.98 -19.42 61.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 2.72 110.494 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.806 HG23 ' SG ' ' B' ' 5' ' ' CYS . 68.5 t -86.34 -36.55 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.877 -0.601 . . . . 0.85 110.182 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -82.91 -34.85 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.545 -0.298 . . . . 0.54 110.828 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.23 88.58 6.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.172 0.511 . . . . 0.8 109.935 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.529 ' HE2' ' O ' ' A' ' 39' ' ' LEU . 27.8 tttm -75.88 -23.59 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.706 . . . . 2.12 111.25 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -88.38 -17.06 31.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.436 -0.347 . . . . 0.67 111.835 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.12 36.12 92.56 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.442 -0.885 . . . . 0.72 111.967 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.413 ' ND2' ' HB2' ' A' ' 99' ' ' TYR . 9.7 p-10 -98.74 -8.95 25.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.862 0.363 . . . . 0.86 110.357 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 19.13 67.26 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.816 -0.629 . . . . 0.6 112.78 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.413 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 39.7 m-85 -138.13 113.41 9.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.782 0.325 . . . . 1.72 111.271 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -94.81 133.37 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.229 -0.656 . . . . 0.89 109.229 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.635 ' C ' ' H ' ' A' ' 103' ' ' ALA . 12.9 p -147.07 -163.67 1.82 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.023 -0.732 . . . . 1.47 109.023 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.22 19.93 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.302 1.049 . . . . 1.37 110.25 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.635 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -88.88 -81.87 0.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.343 -1.753 . . . . 1.18 110.741 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 -21.29 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.839 -0.619 . . . . 0.83 111.929 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.57 -43.97 96.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.897 0.38 . . . . 1.0 110.243 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.3 ttm105 -63.74 -34.97 79.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 1.42 110.221 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -64.02 -52.37 59.82 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.625 -0.716 . . . . 1.0 110.29 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.28 -46.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.482 -0.326 . . . . 0.73 111.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -41.91 64.16 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.813 0.301 . . . . 1.47 111.813 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 m -79.41 -28.54 41.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.612 0.244 . . . . 0.75 111.465 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.55 -35.23 77.14 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.759 0.314 . . . . 1.08 111.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.65 -21.75 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.913 0.387 . . . . 1.34 110.624 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.16 27.0 29.42 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.053 -0.594 . . . . 0.89 112.225 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -87.66 173.76 8.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.108 0.48 . . . . 1.61 111.445 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.461 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 2.0 mptt -99.11 77.07 2.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.743 -0.662 . . . . 1.54 111.265 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.3 mp -134.07 126.62 30.49 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.893 -0.41 . . . . 1.55 109.893 178.597 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.438 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -94.05 176.19 6.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.345 -0.388 . . . . 1.19 110.104 179.34 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.36 -37.54 75.41 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.852 -0.796 . . . . 1.38 108.852 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.94 -35.21 78.03 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.084 -0.962 . . . . 2.33 110.352 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.438 ' HB2' ' N ' ' A' ' 117' ' ' THR . 4.3 mm-40 -69.88 -41.19 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.362 -0.381 . . . . 1.86 110.085 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.579 ' O ' ' HB ' ' A' ' 125' ' ' ILE . 79.8 t -59.3 -42.32 86.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.022 -0.535 . . . . 1.01 110.287 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . 0.417 ' O ' HG21 ' A' ' 125' ' ' ILE . 11.2 t70 -71.17 -37.24 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.96 111.114 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 3.1 tp10 -64.49 -44.75 90.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 1.2 110.964 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.701 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 22.1 ttt -73.02 -39.28 66.14 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.715 0.293 . . . . 1.33 110.738 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . 0.579 ' HB ' ' O ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -53.03 -18.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 113.303 0.853 . . . . 1.23 113.303 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.586 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 13.2 mtm105 -94.31 15.6 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.903 -0.498 . . . . 1.07 111.444 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.479 ' CD ' ' HH ' ' B' ' 12' ' ' TYR . 0.0 OUTLIER -79.41 -40.77 29.23 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.549 -0.538 . . . . 2.04 109.549 179.18 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.81 -21.04 13.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.955 -0.566 . . . . 1.31 110.896 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 91.13 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.116 0.484 . . . . 0.87 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.2 mm -86.03 -32.32 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.536 -0.756 . . . . 1.12 111.274 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -70.33 -28.25 65.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.804 -0.634 . . . . 1.02 111.135 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.09 41.18 10.56 Favored Glycine 0 CA--C 1.508 -0.406 0 N-CA-C 111.236 -0.745 . . . . 0.99 111.236 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.06 -11.77 13.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.265 . . . . 1.02 111.337 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.66 13.78 66.69 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 121.225 -0.512 . . . . 0.91 113.66 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.501 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 39.5 mt-30 -130.75 107.54 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.002 0.401 . . . . 1.58 110.946 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.413 HG21 HD12 ' A' ' 125' ' ' ILE . 66.7 t -76.46 103.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.847 -0.797 . . . . 0.93 108.847 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -82.55 179.48 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.709 -0.397 . . . . 1.19 110.441 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.16 -45.99 79.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.49 111.361 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.88 -46.19 89.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.109 0.481 . . . . 2.6 110.91 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.59 -39.22 93.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.586 . . . . 0.67 110.061 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.408 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 54.3 t80 -67.6 -48.15 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 1.07 111.415 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.88 -41.75 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.321 -0.399 . . . . 0.96 111.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.74 -12.84 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 1.73 111.975 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.588 ' SD ' ' HB3' ' B' ' 15' ' ' GLN . 1.9 tmm? -109.69 -36.78 5.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.361 -0.381 . . . . 1.42 111.689 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.575 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -82.24 -39.76 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.047 0.388 . . . . 2.06 112.047 -178.595 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 m -99.5 -10.59 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.434 . . . . 1.3 111.8 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.561 -0.29 . . . . 1.49 110.758 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.459 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.273 0.559 . . . . 2.97 110.355 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.412 ' CG ' HD21 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -16.23 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.471 2.026 . . . . 1.88 116.471 -178.507 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.817 ' SG ' HD23 ' A' ' 32' ' ' LEU . 99.7 m -63.33 -38.71 92.22 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.208 -0.933 . . . . 0.67 112.905 -177.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.495 ' HB2' ' SD ' ' A' ' 71' ' ' MET . 9.9 tp -70.49 -35.3 73.17 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 111.611 0.226 . . . . 1.86 111.611 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.806 ' SG ' HG23 ' A' ' 91' ' ' VAL . 6.7 p -67.76 -27.24 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.778 -0.823 . . . . 0.7 108.778 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.779 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -65.49 -39.98 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.403 -1.332 . . . . 1.08 107.403 176.724 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.601 HG12 ' SD ' ' A' ' 72' ' ' MET . 23.3 t -65.68 -40.84 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.951 -1.022 . . . . 1.09 109.427 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.575 HG23 ' SD ' ' A' ' 145' ' ' MET . 1.5 m -67.23 -39.93 86.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.982 0.42 . . . . 1.04 110.354 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -61.88 -36.04 80.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.469 0.652 . . . . 1.31 109.812 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.407 ' HZ3' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -71.0 -39.99 72.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.511 -0.768 . . . . 2.43 109.634 179.443 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . 0.447 ' HD2' ' HE1' ' A' ' 145' ' ' MET . 8.8 tmtt? -62.19 -47.91 82.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.84 -0.8 . . . . 1.84 108.84 178.205 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.479 ' HH ' ' CD ' ' A' ' 127' ' ' GLU . 81.9 t80 -60.49 -41.54 94.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.103 -0.953 . . . . 1.5 110.343 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.701 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 10.5 ttt180 -77.44 -10.42 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 3.52 111.213 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -94.5 -19.94 20.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.713 0.768 . . . . 1.52 108.986 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.588 ' HB3' ' SD ' ' A' ' 144' ' ' MET . 0.1 OUTLIER -84.06 -17.2 41.1 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.902 -1.045 . . . . 1.6 111.054 -179.032 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -46.94 85.5 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.451 -0.574 . . . . 2.65 109.451 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.82 77.32 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.837 0.827 . . . . 4.01 109.921 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -128.31 -35.74 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.788 -1.097 . . . . 3.44 109.694 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.609 -0.71 . . . . 4.48 109.97 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.633 -0.506 . . . . 2.12 109.633 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.07 137.68 58.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.145 0.498 . . . . 1.33 111.064 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.21 -41.01 83.1 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.635 -0.711 . . . . 1.97 111.368 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.05 -49.12 74.63 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.127 -0.694 . . . . 1.98 109.127 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.82 -48.48 81.53 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.49 -0.777 . . . . 1.82 110.146 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.9 -38.88 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 1.3 110.695 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.88 60.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.219 -0.446 . . . . 0.94 110.77 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.574 ' CD ' ' HZ1' ' B' ' 10' ' ' LYS . 54.7 mt-10 -63.46 -52.25 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.173 0.511 . . . . 1.57 110.359 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -59.83 -29.44 68.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 2.21 111.673 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 25.8 ttpt -60.5 -41.98 95.41 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.269 0.557 . . . . 2.07 110.309 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.08 -41.0 99.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.106 -0.702 . . . . 1.64 109.106 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -47.24 85.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.368 -0.833 . . . . 1.03 110.09 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.29 -42.13 73.21 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.065 0.46 . . . . 1.64 109.996 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -68.9 -15.11 63.4 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.566 -0.743 . . . . 0.87 110.925 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.97 -48.15 7.64 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 109.301 -0.629 . . . . 2.03 109.301 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.737 ' CE2' HD13 ' B' ' 6' ' ' ILE . 27.8 m-85 -68.4 -44.13 75.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.281 -0.418 . . . . 0.66 110.689 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -80.07 138.66 37.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.54 111.266 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -137.73 -6.83 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.824 0.305 . . . . 0.95 111.824 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -96.29 -13.31 23.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.642 -0.423 . . . . 0.57 110.549 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.71 80.88 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.937 -0.649 . . . . 0.59 112.433 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -83.8 -30.34 26.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.981 0.419 . . . . 0.58 109.937 -179.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.11 -21.8 42.99 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.903 -0.59 . . . . 0.74 113.329 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -92.1 140.55 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 0.59 111.241 -179.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.608 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.77 127.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.741 . . . . 0.64 110.384 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -116.86 178.35 4.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.567 -0.531 . . . . 0.47 109.567 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.416 ' CG2' ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -83.68 -28.7 28.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.061 0.458 . . . . 0.85 110.402 -179.186 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' HD3' ' O ' ' A' ' 30' ' ' LYS . 6.8 tmtt? -78.32 -27.94 47.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.176 -0.465 . . . . 2.59 110.926 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.426 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.0 mt-10 -75.54 -54.83 6.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 122.328 -0.233 . . . . 0.49 110.851 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.746 HD22 ' SG ' ' B' ' 3' ' ' CYS . 8.6 mp -60.74 -37.56 82.18 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.188 0.518 . . . . 0.87 111.195 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.08 -35.5 64.68 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.6 -0.727 . . . . 0.5 111.641 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.5 m -60.56 -46.32 90.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.86 0.362 . . . . 0.81 110.043 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 11.0 t -66.72 -41.64 88.31 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 121.669 -0.644 . . . . 0.95 110.843 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.7 ttm -68.22 -11.13 58.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.984 -1.007 . . . . 1.38 111.01 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -85.88 -42.73 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.478 -0.564 . . . . 2.29 109.478 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -15.05 61.96 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.746 -0.661 . . . . 1.01 110.062 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 17.7 mt -69.3 -14.65 63.06 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.857 -0.611 . . . . 0.96 110.681 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.515 ' HA3' ' HE2' ' A' ' 94' ' ' LYS . . . 98.87 17.9 26.57 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.286 -0.483 . . . . 0.89 112.695 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.57 156.68 43.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.763 0.316 . . . . 1.44 110.422 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -128.5 106.99 19.04 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.392 -0.367 . . . . 1.59 110.77 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -91.48 138.5 2.18 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.657 2.238 . . . . 0.9 113.057 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 p -87.25 176.01 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 1.31 110.031 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -52.78 -38.25 60.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.919 0.39 . . . . 2.18 110.717 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.22 76.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.82 110.708 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -41.42 71.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.567 0.699 . . . . 1.57 110.14 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 23.3 mt -63.89 -23.8 67.49 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.44 -0.8 . . . . 0.92 111.22 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.466 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -88.01 -37.53 16.26 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.101 -0.703 . . . . 1.53 109.101 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.25 -42.61 95.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.43 -1.259 . . . . 1.38 110.483 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 10.6 mmt -63.59 -51.76 63.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.705 -0.68 . . . . 1.97 111.197 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.45 -38.42 81.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.887 -0.597 . . . . 0.79 110.532 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -52.6 -35.46 54.34 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 1.72 111.905 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.42 -36.58 73.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.96 -0.564 . . . . 2.84 111.16 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.59 -43.83 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-N 116.105 -0.498 . . . . 1.31 111.205 -179.151 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.41 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 12.3 t70 -68.3 103.29 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.113 0.483 . . . . 0.59 111.26 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.11 -5.15 14.81 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.53 0.681 . . . . 0.77 110.032 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.42 28.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.151 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 50.28 4.46 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 116.135 -0.484 . . . . 0.9 112.556 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.65 -25.98 3.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.741 0.305 . . . . 0.65 110.407 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.41 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.35 40.86 7.67 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.999 -0.619 . . . . 0.55 112.062 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 m -155.25 130.28 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.477 0.18 . . . . 0.76 110.915 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.608 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 16.3 mt -77.21 95.2 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.383 -0.969 . . . . 1.08 108.383 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -98.11 177.61 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.52 111.184 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -50.63 78.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 112.942 0.719 . . . . 1.38 112.942 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.06 -52.32 9.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.059 1.839 . . . . 0.7 112.157 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.17 -28.38 68.06 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 121.165 0.507 . . . . 0.52 110.134 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 31.8 t80 -63.92 -36.17 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 1.74 110.215 -179.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 mt -70.54 -53.5 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.741 -0.663 . . . . 1.13 109.433 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -56.14 -49.31 74.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.963 -1.017 . . . . 1.05 110.909 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' MET . . . . . 0.537 ' CG ' HD23 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -62.9 -39.43 94.5 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.23 -0.895 . . . . 1.24 111.567 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 ttm -67.57 -43.59 80.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.242 -0.436 . . . . 2.24 110.421 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.93 63.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.64 0.733 . . . . 0.73 109.923 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -79.2 -2.14 39.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.277 -0.874 . . . . 1.73 111.309 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.506 ' HE3' ' CD1' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -129.14 -9.23 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.184 0.516 . . . . 1.49 111.735 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.0 ttm -72.05 -40.18 68.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.155 0.502 . . . . 2.02 109.857 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -142.46 54.5 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.99 -0.55 . . . . 2.32 110.298 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . 0.409 ' HB3' ' HE1' ' A' ' 145' ' ' MET . 15.3 t0 -68.81 117.7 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.109 0.48 . . . . 1.41 111.076 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 26.6 p -130.55 11.63 5.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.72 0.772 . . . . 1.88 109.001 179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.06 20.75 8.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.023 -0.99 . . . . 1.78 109.566 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' SER . . . . . 0.478 ' HB3' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -38.66 103.96 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.939 1.829 . . . . 1.35 115.939 -177.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.25 -69.47 0.81 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.705 -1.22 . . . . 1.86 107.705 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -110.99 -7.04 14.57 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 109.268 -0.642 . . . . 2.7 109.268 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.69 -58.14 9.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.74 . . . . 1.27 111.835 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.606 ' CD1' ' HA ' ' A' ' 142' ' ' VAL . 6.3 mt -63.1 -31.18 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.827 -0.624 . . . . 2.16 110.02 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.402 ' HD3' ' OH ' ' A' ' 138' ' ' TYR . 3.2 tpt180 -65.59 -44.65 85.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.259 -0.645 . . . . 2.9 109.259 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' O ' HG21 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -50.18 -53.71 25.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.893 -0.594 . . . . 1.47 110.743 178.738 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.97 -24.11 61.54 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.25 0.463 . . . . 0.59 112.25 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.408 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.3 t80 -72.13 -39.38 68.88 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.252 -1.018 . . . . 1.01 108.252 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -28.81 63.1 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.858 -1.065 . . . . 2.72 110.54 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.779 HG23 ' SG ' ' B' ' 5' ' ' CYS . 32.3 t -73.74 -40.31 53.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.342 -0.39 . . . . 0.85 110.828 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.54 -36.47 38.33 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.54 110.647 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.19 89.46 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.954 -0.566 . . . . 0.8 109.517 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LYS . . . . . 0.515 ' HE2' ' HA3' ' A' ' 40' ' ' GLY . 23.6 tttm -71.6 -37.62 70.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 2.12 112.893 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -70.83 -12.8 61.76 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.8 0.296 . . . . 0.67 111.8 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.93 24.27 71.47 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.048 -0.596 . . . . 0.72 112.53 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . 0.561 HD22 ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -85.55 -21.79 28.4 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.648 0.261 . . . . 0.86 110.545 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.91 30.36 8.99 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.317 -0.944 . . . . 0.6 112.964 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.561 ' HB2' HD22 ' A' ' 97' ' ' ASN . 13.9 m-85 -150.62 111.96 4.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.439 0.638 . . . . 1.72 111.359 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -87.41 133.86 29.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.264 -0.88 . . . . 0.89 110.987 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' SER . . . . . 0.595 ' C ' ' H ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.09 -173.67 4.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.685 -0.857 . . . . 1.47 108.685 179.026 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.96 5.74 3.1 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 122.631 1.205 . . . . 1.37 109.387 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . 0.595 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.67 -74.62 0.15 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 112.955 -1.929 . . . . 1.18 108.223 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.531 ' O ' HG22 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -88.41 -21.25 24.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.44 0.904 . . . . 0.83 113.44 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.07 -41.26 92.03 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 120.096 -0.642 . . . . 1.0 109.374 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -58.5 -45.64 88.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.857 -0.61 . . . . 1.42 110.098 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.77 -50.16 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.368 -0.833 . . . . 1.0 111.403 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 104' ' ' GLU . 3.2 t -69.59 -39.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.833 0.308 . . . . 0.73 111.833 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' MET . . . . . 0.412 ' HA ' ' HE3' ' A' ' 109' ' ' MET . 0.0 OUTLIER -58.47 -46.41 86.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.452 0.168 . . . . 1.47 111.08 -179.72 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -72.93 -27.6 61.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.339 -0.391 . . . . 0.75 110.948 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -39.11 68.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.829 0.307 . . . . 1.08 111.829 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.7 -10.91 60.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.622 0.249 . . . . 1.34 111.67 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 36.05 30.54 Favored Glycine 0 CA--C 1.507 -0.439 0 C-N-CA 120.659 -0.781 . . . . 0.89 112.141 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . 0.465 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -87.23 166.47 14.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.165 0.507 . . . . 1.61 111.045 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' LYS . . . . . 0.448 ' HD2' ' OE1' ' A' ' 114' ' ' GLU . 0.6 OUTLIER -93.97 64.79 3.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.516 -0.765 . . . . 1.54 110.255 -179.309 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 114' ' ' GLU . 5.2 mp -138.11 125.49 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 1.55 111.849 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' THR . . . . . 0.409 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -92.66 -176.49 4.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 1.19 110.279 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -47.03 79.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.895 0.331 . . . . 1.38 111.895 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -68.91 -23.38 64.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.355 -0.384 . . . . 2.33 111.478 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.81 -33.5 66.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.59 0.709 . . . . 1.86 109.093 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.409 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -65.05 -44.09 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 1.01 109.425 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -47.09 85.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.502 -0.555 . . . . 0.96 109.502 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.473 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 16.9 tp10 -56.83 -48.96 76.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.836 -0.62 . . . . 1.2 111.302 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' MET . . . . . 0.775 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.0 ttt -65.19 -45.92 82.87 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.23 -0.441 . . . . 1.33 111.352 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.54 -28.79 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 112.345 0.498 . . . . 1.23 112.345 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' ARG . . . . . 0.473 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 23.8 mtm105 -85.22 19.55 2.21 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.639 0.607 . . . . 1.07 112.639 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' GLU . . . . . 0.504 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -94.76 -48.89 5.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.655 -0.418 . . . . 2.04 110.852 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.504 ' N ' ' HG2' ' A' ' 127' ' ' GLU . . . -91.87 -26.72 18.35 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.341 -0.39 . . . . 1.31 110.787 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.61 108.53 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.569 0.543 . . . . 0.87 109.686 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.2 mm -102.27 -30.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 1.12 111.926 -177.399 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . 0.485 ' OD2' ' HB3' ' A' ' 133' ' ' ASP . 6.2 p-10 -79.81 -11.6 59.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 1.02 109.298 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 59.32 7.23 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.99 113.381 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ASP . . . . . 0.485 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 2.5 p-10 -118.54 -5.71 10.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.752 0.276 . . . . 1.02 110.732 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.55 -1.33 78.81 Favored Glycine 0 N--CA 1.46 0.265 0 C-N-CA 120.94 -0.647 . . . . 0.91 113.136 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.09 141.71 51.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.028 0.442 . . . . 1.58 110.851 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' VAL . . . . . 0.423 HG23 ' OH ' ' B' ' 12' ' ' TYR . 58.3 t -99.66 113.14 34.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.843 -0.799 . . . . 0.93 108.843 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -86.72 -179.99 6.67 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.465 -0.494 . . . . 1.19 110.848 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' TYR . . . . . 0.511 ' O ' HG22 ' A' ' 142' ' ' VAL . 1.9 t80 -55.99 -50.21 71.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 1.49 112.289 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.77 -37.26 84.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.336 0.495 . . . . 2.6 112.336 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.092 0.472 . . . . 0.67 109.868 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 18.7 t80 -71.61 -39.69 70.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.971 -0.559 . . . . 1.07 110.347 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' VAL . . . . . 0.606 ' HA ' ' CD1' ' A' ' 85' ' ' ILE . 32.5 t -52.09 -51.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.502 0.668 . . . . 0.96 110.869 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.55 -44.01 95.4 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.224 -0.898 . . . . 1.73 111.2 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' MET . . . . . 0.484 ' HE3' ' CE1' ' B' ' 12' ' ' TYR . 2.3 mmm -62.72 -36.62 83.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.887 -0.597 . . . . 1.42 111.922 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . 0.59 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -75.33 -39.78 59.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 2.06 110.215 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 90.4 m -66.78 -58.36 5.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.071 -0.513 . . . . 1.3 111.996 -179.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.522 . . . . 1.49 111.329 -179.698 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.884 -0.784 . . . . 2.97 108.884 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ASP . . . . . 0.506 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -28.16 -72.31 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 115.687 1.736 . . . . 1.88 115.687 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' CYS . . . . . 0.746 ' SG ' HD22 ' A' ' 32' ' ' LEU . 79.1 m -65.7 -26.76 67.92 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.88 0.696 . . . . 0.67 112.88 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.537 HD23 ' CG ' ' A' ' 71' ' ' MET . 6.4 tp -81.5 -34.61 31.17 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.07 0.548 . . . . 1.86 110.411 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' CYS . . . . . 0.779 ' SG ' HG23 ' A' ' 91' ' ' VAL . 16.8 p -69.62 -25.31 63.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.859 -1.163 . . . . 0.7 107.859 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ILE . . . . . 0.737 HD13 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.14 -43.32 95.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 106.999 -1.482 . . . . 1.08 106.999 176.039 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' VAL . . . . . 0.415 ' CG1' ' HB3' ' A' ' 75' ' ' LYS . 23.5 t -61.08 -43.89 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.201 -0.909 . . . . 1.09 109.67 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' THR . . . . . 0.59 HG22 ' SD ' ' A' ' 145' ' ' MET . 8.3 m -63.67 -43.51 96.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.603 -0.517 . . . . 1.04 109.603 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' THR . . . . . 0.459 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 49.5 m -58.52 -37.74 76.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.367 0.603 . . . . 1.31 109.786 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LYS . . . . . 0.574 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 0.0 OUTLIER -70.38 -40.99 73.66 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.035 -0.53 . . . . 2.43 110.762 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.9 -45.17 82.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.96 -0.756 . . . . 1.84 108.96 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 79.9 t80 -63.52 -44.09 95.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 1.5 110.626 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . 0.775 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 8.2 ttp85 -72.5 -20.23 61.4 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.767 -0.651 . . . . 3.52 111.24 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -91.47 -14.38 30.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.19 0.519 . . . . 1.52 110.642 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.456 ' HA ' ' NE2' ' B' ' 15' ' ' GLN . 1.7 tp60 -76.38 -23.77 54.1 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.45 -0.795 . . . . 1.6 110.745 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -23.91 67.48 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.36 0.6 . . . . 2.65 109.685 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -73.87 72.65 1.58 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.659 0.742 . . . . 4.01 109.834 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -137.9 -43.64 0.52 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.65 -0.705 . . . . 3.44 110.089 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.078 -0.965 . . . . 4.48 108.987 177.878 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 111.939 0.348 . . . . 1.25 111.939 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -59.71 -33.74 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.754 -0.657 . . . . 1.97 110.754 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 3.1 mp0 -60.98 -45.83 93.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.177 -0.675 . . . . 1.98 109.177 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.46 -46.86 86.56 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.86 -0.609 . . . . 1.62 109.475 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -51.72 -44.84 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.514 -0.312 . . . . 1.13 111.27 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.66 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.74 110.675 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 75.3 mt-10 -73.46 -47.73 39.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 1.57 109.953 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.16 -28.45 67.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.095 0.474 . . . . 1.85 110.203 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.11 -38.13 75.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.897 -0.779 . . . . 1.5 108.897 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.57 -46.05 77.29 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.713 -0.676 . . . . 1.64 110.361 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.75 -51.43 70.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.21 -0.45 . . . . 0.51 111.117 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.448 ' HZ ' ' O ' ' A' ' 25' ' ' GLY . 43.7 t80 -55.44 -35.55 65.56 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.236 -0.893 . . . . 1.23 110.128 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.1 m -69.24 -23.82 63.92 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 124.156 0.91 . . . . 0.77 112.106 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -89.24 -35.58 16.1 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 119.818 -0.753 . . . . 1.43 111.156 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -69.41 -38.28 77.86 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 118.039 0.382 . . . . 0.56 110.806 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -81.49 132.62 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.876 0.369 . . . . 0.54 110.997 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -133.8 20.8 3.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.73 111.609 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -128.51 -17.38 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.527 -0.306 . . . . 0.57 111.76 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.36 69.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.006 -0.616 . . . . 0.59 112.369 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -35.61 16.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.772 0.32 . . . . 0.58 110.524 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HZ ' ' A' ' 16' ' ' PHE . . . 100.24 15.65 29.74 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.413 -0.898 . . . . 0.74 113.291 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -133.04 142.47 48.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.884 -0.413 . . . . 0.47 109.884 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.7 mt -81.46 124.31 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.064 -0.347 . . . . 0.41 110.064 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -110.55 177.42 4.69 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.837 0.351 . . . . 0.41 110.337 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -82.69 -32.63 27.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.365 0.602 . . . . 0.6 110.195 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -69.46 -33.5 73.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.756 -0.656 . . . . 2.22 111.682 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -72.84 -56.26 5.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.774 0.321 . . . . 0.42 110.615 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.722 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.5 mp -64.62 -35.85 82.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.5 111.254 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.6 72.22 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.139 -0.784 . . . . 0.5 111.139 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.7 m -62.49 -40.57 97.13 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 115.65 -0.275 . . . . 0.6 110.943 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.9 -41.47 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.911 0.386 . . . . 0.63 110.024 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.77 -11.51 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 1.07 110.421 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -88.3 -40.99 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.89 -1.05 . . . . 1.82 108.707 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 m -71.05 -3.01 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.351 -0.841 . . . . 0.8 110.664 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -86.7 -3.3 59.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.067 -0.515 . . . . 0.86 110.922 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.05 7.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.387 -0.911 . . . . 0.89 112.0 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -140.03 162.64 34.73 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.048 -0.353 . . . . 1.25 110.048 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -142.47 96.67 6.25 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.393 -0.595 . . . . 1.37 109.393 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -93.36 149.95 2.43 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.148 2.565 . . . . 0.74 112.801 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -92.64 178.43 5.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.182 -0.463 . . . . 1.04 109.99 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.76 34.6 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.19 0.441 . . . . 2.18 112.19 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.59 70.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.148 0.499 . . . . 0.63 111.054 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.9 mp0 -75.7 -41.84 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.397 -0.82 . . . . 1.57 110.592 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.45 -36.24 73.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 0.64 112.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -85.72 -23.42 27.36 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.282 -0.567 . . . . 1.26 110.08 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.41 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.589 . . . . 1.38 110.217 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 12.2 mmt -64.76 -43.81 92.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.113 -0.948 . . . . 1.38 109.828 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.15 -42.6 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.911 -1.04 . . . . 0.48 111.394 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -55.11 -28.61 53.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.368 -0.378 . . . . 1.4 111.368 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.88 -35.32 79.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 2.84 110.775 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.9 -33.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.704 -0.68 . . . . 0.82 109.869 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.72 123.46 20.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.415 -0.811 . . . . 0.55 111.717 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.69 -15.67 7.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.964 -0.562 . . . . 0.68 110.712 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.0 -31.51 34.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.74 111.038 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.14 25.47 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.57 -0.824 . . . . 0.9 113.196 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -106.24 -25.55 11.92 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.751 -0.38 . . . . 0.6 111.369 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.58 48.18 4.84 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.393 -0.908 . . . . 0.52 112.396 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.3 m -159.13 134.56 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.743 0.417 . . . . 0.57 109.924 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 49.3 mt -77.62 93.88 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -179.01 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.52 110.908 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.82 -51.27 49.4 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.643 0.979 . . . . 1.15 113.643 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.44 -47.27 26.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.841 1.694 . . . . 0.63 112.772 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -71.5 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.51 110.62 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.4 t80 -65.22 -38.98 92.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.768 -0.651 . . . . 1.44 110.369 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.57 -51.09 60.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.405 . . . . 0.89 110.725 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -44.58 92.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.036 0.446 . . . . 0.74 110.535 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.748 ' HG2' HD13 ' B' ' 4' ' ' LEU . 6.5 ttp -59.2 -43.22 92.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.71 110.607 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 5.2 tmm? -65.88 -44.81 84.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 1.69 110.422 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.3 69.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.63 110.091 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -70.23 -15.16 62.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.53 -0.759 . . . . 1.45 111.49 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.823 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.1 OUTLIER -116.53 -39.85 3.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.361 -0.536 . . . . 0.86 111.907 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.459 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 2.5 tmm? -51.08 -35.88 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.194 0.521 . . . . 1.68 110.877 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -123.47 31.45 5.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.62 -0.718 . . . . 1.95 110.613 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.42 117.68 14.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 1.41 111.315 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 p -142.71 16.85 1.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.303 -0.862 . . . . 1.45 109.242 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -133.52 30.51 3.81 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.523 -1.288 . . . . 1.78 107.523 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -41.61 110.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.67 -1.604 . . . . 1.1 114.269 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 5.3 tp10 -108.77 -77.05 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.53 -0.915 . . . . 1.86 108.53 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.43 -21.35 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.912 -0.773 . . . . 2.7 108.912 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 7.0 mm-40 -52.17 -41.08 62.31 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.683 -1.144 . . . . 1.27 112.044 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 33.4 mt -56.39 -47.76 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.286 0.565 . . . . 1.5 109.752 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -43.41 96.68 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.584 -0.734 . . . . 2.57 112.005 -178.033 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.645 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 26.6 tt0 -48.12 -64.84 0.68 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.405 0.621 . . . . 1.47 112.265 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -23.15 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.41 111.622 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 121.092 0.472 . . . . 0.75 110.197 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -79.79 -18.93 49.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 2.35 110.931 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.695 HG21 ' SG ' ' B' ' 5' ' ' CYS . 98.3 t -85.61 -35.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.47 109.836 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -83.97 -44.39 14.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.479 -0.328 . . . . 0.47 110.72 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.15 97.11 9.18 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.735 0.779 . . . . 0.8 109.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -82.33 -32.82 29.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.638 -1.165 . . . . 1.7 111.703 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -75.03 -26.41 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.67 111.539 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.01 35.15 35.65 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.844 -0.693 . . . . 0.72 111.703 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.577 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -101.5 -19.05 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.72 110.193 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.83 21.14 34.54 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 120.802 -0.713 . . . . 0.58 113.548 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 7.6 m-85 -143.36 110.61 5.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 117.036 0.418 . . . . 1.57 110.162 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 5.8 mt -83.36 150.68 4.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 116.42 -0.354 . . . . 0.69 110.667 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.5 p -153.78 -177.5 6.43 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.595 -0.15 . . . . 1.14 110.595 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.02 3.55 4.29 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 122.466 1.127 . . . . 1.3 109.699 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.61 -68.43 0.68 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.269 -1.787 . . . . 0.93 108.51 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.88 -34.9 57.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.846 -1.07 . . . . 0.83 112.224 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.606 HD23 HG13 ' A' ' 121' ' ' VAL . 24.2 tp -61.1 -39.42 89.9 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.934 -0.306 . . . . 0.63 111.127 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -59.61 -43.61 93.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.18 110.329 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -50.42 73.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.783 -0.644 . . . . 0.83 110.795 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.5 t -63.04 -42.03 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.256 0.465 . . . . 0.53 112.256 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -34.96 77.68 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.992 0.425 . . . . 0.86 111.204 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -82.15 -29.75 31.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.95 -0.568 . . . . 0.67 110.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -38.71 80.46 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.88 110.5 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.466 HD22 HD11 ' B' ' 6' ' ' ILE . 56.8 mt -75.4 -33.71 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.93 109.85 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.81 33.88 7.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.998 -0.62 . . . . 0.89 113.16 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.29 164.48 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.217 -0.29 . . . . 1.61 110.217 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -85.23 64.93 8.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.735 0.302 . . . . 1.18 111.787 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.63 128.91 38.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.941 0.4 . . . . 1.27 110.766 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.8 p -90.11 -175.58 4.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.465 -0.568 . . . . 1.04 109.465 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.42 -36.8 85.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 1.38 110.765 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.97 -27.83 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 2.33 110.981 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.97 -32.22 65.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.408 0.623 . . . . 1.86 109.941 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.606 HG13 HD23 ' A' ' 105' ' ' LEU . 54.0 t -65.69 -44.25 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.471 -0.786 . . . . 0.76 110.844 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.82 -36.83 81.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 0.96 111.026 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.423 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.4 tp10 -66.4 -49.51 66.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.734 -0.666 . . . . 1.2 110.447 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.798 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -60.51 -42.11 95.73 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.66 -0.7 . . . . 0.76 109.979 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.7 mm -51.91 -29.41 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 112.709 0.633 . . . . 0.92 112.709 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.455 ' HA ' ' HB3' ' A' ' 129' ' ' ASP . 22.6 mtm105 -84.67 13.93 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.436 0.532 . . . . 0.94 112.436 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -41.96 19.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.886 -0.783 . . . . 2.04 108.886 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -99.98 -13.48 19.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.96 110.521 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.455 ' HB3' ' HA ' ' A' ' 126' ' ' ARG . 39.3 t0 -77.34 99.07 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.87 110.023 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.78 -47.67 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 1.01 111.544 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.74 -18.3 61.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.478 -0.328 . . . . 1.02 111.305 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 49.77 32.76 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.358 -0.925 . . . . 0.94 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -7.7 24.02 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.118 0.485 . . . . 0.95 110.33 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.85 4.52 63.38 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.769 -0.651 . . . . 0.84 111.79 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 70.2 mt-30 -135.96 157.95 45.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.379 0.609 . . . . 1.26 111.432 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.95 114.8 47.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.12 -1.067 . . . . 0.69 108.12 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.685 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 30.9 p30 -92.16 176.26 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.456 -0.497 . . . . 0.97 110.433 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 142' ' ' VAL . 10.7 t80 -54.92 -48.01 73.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.789 -0.641 . . . . 1.35 111.182 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -58.2 -46.1 86.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 2.6 111.44 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.42 -38.51 91.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.8 -0.636 . . . . 0.66 110.689 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.596 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 10.9 t80 -70.26 -40.47 74.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.296 -0.411 . . . . 0.88 110.911 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.1 t -61.71 -49.15 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.277 0.56 . . . . 0.7 110.511 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.96 -6.64 28.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.5 112.088 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.407 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 1.5 tmm? -103.98 -41.1 5.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.33 . . . . 0.89 111.184 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.404 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -85.17 -44.14 13.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 1.47 111.886 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.1 m -83.28 -30.82 27.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.045 -0.525 . . . . 1.07 111.58 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.238 -0.437 . . . . 1.33 110.698 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.554 ' O ' ' HB3' ' B' ' 5' ' ' CYS . 45.4 tpp . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.846 0.355 . . . . 2.55 110.623 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ASP . . . . . 0.457 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -86.74 -71.11 0.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 1.88 111.28 -178.037 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.722 ' SG ' HD21 ' A' ' 32' ' ' LEU . 91.4 m -61.4 -28.93 69.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.387 -0.369 . . . . 0.64 110.592 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' A' ' 75' ' ' LYS . 8.5 tp -75.84 -36.32 59.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.415 -0.357 . . . . 1.25 110.347 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.695 ' SG ' HG21 ' A' ' 91' ' ' VAL . 7.8 p -65.54 -23.35 66.85 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.544 -0.91 . . . . 0.61 108.544 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.81 -39.35 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 108.301 -1.0 . . . . 0.62 108.301 176.574 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 3' ' ' CYS . 11.1 t -68.69 -34.44 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 108.77 -0.826 . . . . 0.57 108.77 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.404 HG23 ' HD2' ' A' ' 75' ' ' LYS . 3.1 m -71.27 -40.34 70.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.095 -0.502 . . . . 0.63 109.776 177.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -64.33 -36.91 85.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.83 109.504 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.434 ' HE3' ' HB3' ' A' ' 11' ' ' GLU . 4.5 tmtt? -69.8 -37.17 76.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.447 -0.575 . . . . 2.03 109.447 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -66.35 -45.93 78.5 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.345 -0.613 . . . . 1.32 109.345 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.596 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 80.3 t80 -64.35 -36.55 84.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.274 -0.875 . . . . 1.21 109.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.798 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 12.8 ttp85 -82.97 -10.27 58.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.026 -0.534 . . . . 3.1 111.15 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -96.35 -21.62 17.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 1.47 109.204 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -26.81 60.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.307 -0.861 . . . . 1.41 110.428 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -33.24 75.5 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.18 -0.674 . . . . 2.65 109.18 178.478 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.98 76.43 2.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.955 -1.02 . . . . 4.01 109.877 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -147.99 -62.85 0.26 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.939 0.4 . . . . 3.44 110.132 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.909 -0.567 . . . . 4.48 109.931 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.115 -0.328 . . . . 1.25 110.115 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.99 -34.65 70.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.473 -0.331 . . . . 1.97 111.565 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 24.5 mp0 -62.42 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 1.98 110.456 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -51.73 68.34 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.25 -0.648 . . . . 1.62 109.25 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mm -52.1 -42.46 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.13 110.308 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.21 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.678 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 24.2 mt-10 -72.25 -41.55 66.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.257 -0.429 . . . . 1.57 110.178 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -61.5 -31.79 71.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.223 -0.444 . . . . 1.85 109.927 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -58.73 -39.84 82.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 1.5 109.671 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -67.6 -36.77 81.5 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.612 -0.514 . . . . 1.64 109.612 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.12 73.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.954 -0.566 . . . . 0.51 110.191 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -54.75 -45.17 74.13 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.003 0.43 . . . . 1.23 110.083 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -66.21 -17.18 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.77 110.955 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 tp -87.77 -47.81 8.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 1.43 110.271 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' B' ' 6' ' ' ILE . 43.9 m-85 -71.98 -40.38 68.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.66 0.267 . . . . 0.56 111.294 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 12.5 t70 -78.74 138.0 38.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 0.54 111.258 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -141.29 25.76 2.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.73 111.214 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -127.73 -15.53 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.797 -0.361 . . . . 0.57 110.626 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.42 12.88 69.1 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.581 -0.819 . . . . 0.59 112.733 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -88.84 -33.43 17.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.175 0.487 . . . . 0.58 110.636 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.02 -7.14 56.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.282 -0.961 . . . . 0.74 113.432 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.421 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 2.6 m -106.87 148.09 28.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.355 0.598 . . . . 0.47 110.801 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.529 HG23 HD13 ' A' ' 32' ' ' LEU . 1.6 mt -84.13 119.23 32.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.225 -0.898 . . . . 0.41 111.076 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -108.44 -177.59 3.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.235 -0.654 . . . . 0.41 109.235 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -82.21 -37.68 25.67 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.353 0.597 . . . . 0.6 110.355 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -65.96 -32.32 73.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.303 -0.862 . . . . 2.22 111.839 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.583 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.3 mt-10 -72.63 -54.09 10.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.834 0.35 . . . . 0.42 111.29 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.719 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.8 mp -64.94 -35.11 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.716 -0.476 . . . . 0.5 109.716 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.42 -40.07 93.76 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.967 -0.853 . . . . 0.5 110.967 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.8 m -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.143 -0.528 . . . . 0.6 110.953 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 21.3 t -63.93 -37.82 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.184 0.516 . . . . 0.63 110.406 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.48 ' HA ' HD12 ' A' ' 39' ' ' LEU . 11.1 ttm -69.22 -14.41 62.95 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.667 -0.697 . . . . 1.07 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.725 0.774 . . . . 1.82 109.071 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.98 -10.98 60.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.368 -0.833 . . . . 0.8 110.796 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 36' ' ' MET . 62.4 mt -81.03 -10.76 59.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.641 . . . . 0.86 110.432 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.86 13.89 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.057 -0.817 . . . . 0.89 111.057 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.2 158.29 28.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.39 . . . . 1.25 110.393 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -137.93 82.63 25.17 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.794 -0.639 . . . . 1.37 109.585 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 44.2 Cg_endo -87.98 149.02 6.97 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.683 2.255 . . . . 0.74 112.669 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.548 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -105.52 -176.11 2.98 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.105 -0.498 . . . . 1.04 110.633 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -47.86 -31.49 5.11 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.097 0.873 . . . . 2.18 113.146 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.89 -45.3 51.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.294 0.569 . . . . 0.63 111.109 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 44' ' ' THR . 3.1 mp0 -75.5 -42.27 53.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.763 -0.653 . . . . 1.57 110.438 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 52' ' ' ILE . 32.1 mt -59.07 -25.08 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.353 -0.839 . . . . 0.64 110.807 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -89.48 -33.81 16.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.762 -0.458 . . . . 1.26 109.762 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.19 -44.48 83.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.591 -0.731 . . . . 1.38 110.702 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.443 ' SD ' ' HG3' ' B' ' 1' ' ' MET . 5.9 mmt -60.66 -44.77 96.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 1.38 110.512 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 48' ' ' LEU . 42.7 mm -68.19 -46.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 0.48 111.46 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.44 -33.19 65.63 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.394 0.678 . . . . 1.4 112.735 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' OE1' ' HA ' ' B' ' 1' ' ' MET . 6.8 tm-20 -63.03 -31.66 72.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 2.84 110.202 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 t -92.24 -42.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.82 110.965 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 4.5 t70 -64.47 126.85 29.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.217 -0.901 . . . . 0.55 112.64 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.41 -7.8 2.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.449 -0.796 . . . . 0.68 110.133 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.78 -9.85 54.91 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.984 -0.553 . . . . 0.74 110.478 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.9 42.49 25.13 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 115.991 -0.549 . . . . 0.9 113.325 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -23.47 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.91 0.386 . . . . 0.6 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 48.98 7.67 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.145 -0.55 . . . . 0.52 112.819 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -161.49 132.07 5.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.639 0.376 . . . . 0.57 110.804 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 3.5 mt -70.97 100.15 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.002 -0.74 . . . . 0.46 109.002 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.0 -178.39 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.52 111.997 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -64.95 -47.06 74.81 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.625 -0.716 . . . . 1.15 112.721 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 -43.67 57.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.106 1.871 . . . . 0.63 112.126 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 71' ' ' MET . 29.9 mt-10 -75.28 -28.86 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.614 . . . . 0.51 110.846 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.31 -45.58 92.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.315 -0.624 . . . . 1.44 109.315 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -63.99 -46.24 85.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.784 -0.644 . . . . 0.89 110.412 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -62.99 -47.24 84.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 0.74 110.445 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.564 ' HG2' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.14 -38.68 87.27 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.44 -0.8 . . . . 0.71 110.885 179.161 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.564 ' N ' ' HG2' ' A' ' 71' ' ' MET . 5.1 ttm -68.32 -43.08 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 1.69 110.893 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.67 71.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.052 0.453 . . . . 0.63 110.176 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 6.7 ttm180 -67.58 -24.47 65.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.621 . . . . 1.45 110.948 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -20.58 13.28 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.111 0.412 . . . . 0.86 112.111 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.8 ttm -63.64 -56.66 14.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.3 0.571 . . . . 1.68 110.637 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -107.67 38.01 2.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.395 -0.82 . . . . 1.95 110.328 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.07 111.01 1.76 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.122 -0.944 . . . . 1.41 110.581 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.83 5.8 0.69 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.883 0.849 . . . . 1.45 110.098 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.4 33.61 3.56 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.381 -1.711 . . . . 1.78 106.381 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.453 ' CB ' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -43.01 119.93 1.65 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.513 -1.676 . . . . 1.1 113.113 -178.06 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -108.9 -50.56 2.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.984 -1.007 . . . . 1.86 109.713 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -115.54 -24.86 8.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.722 -0.672 . . . . 2.7 110.706 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -51.42 -47.68 62.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.363 -0.835 . . . . 1.27 111.349 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 93.9 mt -52.63 -51.31 35.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-O 120.886 0.374 . . . . 1.5 110.211 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -66.59 -45.93 77.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 2.57 110.79 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.662 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 1.6 tt0 -53.9 -61.04 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.111 0.564 . . . . 1.47 111.924 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.19 -25.9 68.28 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.637 0.256 . . . . 0.41 111.27 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -73.71 -40.69 63.41 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.178 0.513 . . . . 0.75 109.722 -179.395 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -65.21 -34.36 78.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.475 -0.784 . . . . 2.35 111.235 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.766 HG21 ' SG ' ' B' ' 5' ' ' CYS . 93.1 t -75.42 -36.77 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.042 -0.526 . . . . 0.47 111.645 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -81.04 -28.97 35.18 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.086 0.47 . . . . 0.47 110.373 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -99.43 95.36 6.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.8 110.95 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 35.1 tttm -84.2 -22.1 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.103 0.409 . . . . 1.7 112.103 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -84.51 -22.15 30.3 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.37 -0.532 . . . . 0.67 111.998 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.33 27.27 59.94 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.423 -0.418 . . . . 0.72 113.311 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -93.33 -13.42 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.547 -0.384 . . . . 0.72 111.026 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.36 31.67 27.3 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.58 112.857 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 5.0 m-85 -145.21 116.91 8.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.094 -0.335 . . . . 1.57 110.094 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 mt -90.41 123.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.932 -0.396 . . . . 0.69 109.932 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.555 ' HB3' ' HG2' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -135.27 -164.65 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.234 -0.291 . . . . 1.14 111.072 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.62 17.7 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.309 1.052 . . . . 1.3 109.584 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -89.03 -83.33 0.23 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.688 -1.596 . . . . 0.93 111.061 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.5 mp0 -75.03 -28.7 60.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.104 -0.498 . . . . 0.83 112.275 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.74 -36.62 83.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.456 0.646 . . . . 0.63 110.498 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -60.75 -31.74 71.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.189 -0.914 . . . . 1.18 110.445 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.78 -54.82 5.48 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.83 110.321 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 104' ' ' GLU . 30.4 t -49.81 -48.31 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.083 0.553 . . . . 0.53 111.967 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -49.94 74.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.772 0.32 . . . . 0.86 111.478 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -70.16 -29.81 66.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.989 0.423 . . . . 0.67 111.285 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -73.22 -44.55 59.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.092 -0.503 . . . . 0.88 110.909 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.1 -35.65 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.93 110.29 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.11 13.1 14.07 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.715 -0.755 . . . . 0.89 112.762 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.56 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 0.5 OUTLIER -69.79 146.45 51.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.45 0.643 . . . . 1.61 110.828 -179.619 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.61 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -81.97 56.11 3.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.346 -0.843 . . . . 1.18 110.681 -178.705 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -123.49 126.9 47.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 1.27 111.429 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 121' ' ' VAL . 5.8 p -90.2 179.32 5.94 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.362 -0.835 . . . . 1.04 110.793 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.84 -42.23 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 1.38 110.147 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.14 -25.97 67.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.335 -0.848 . . . . 2.33 109.741 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.7 -40.29 23.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 1.86 109.236 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' THR . 55.2 t -59.09 -42.53 86.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.76 110.188 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.74 -29.83 66.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.96 110.762 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -70.73 -49.08 50.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.61 -0.723 . . . . 1.2 110.264 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.792 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 13.4 ttt -64.23 -38.8 92.36 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.874 -0.603 . . . . 0.76 110.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.3 mm -51.43 -27.99 7.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.113 0.412 . . . . 0.92 112.113 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -87.65 23.87 1.85 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.327 0.491 . . . . 0.94 112.327 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -40.13 12.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.599 -0.519 . . . . 2.04 109.599 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.54 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -106.66 -15.34 14.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.96 110.772 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -75.42 89.72 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.578 -0.737 . . . . 0.87 110.486 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.5 mm -84.24 -36.58 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.365 -0.834 . . . . 1.01 110.827 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -63.75 -28.61 70.0 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.275 -0.42 . . . . 1.02 111.44 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.01 33.58 29.16 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.458 -0.657 . . . . 0.94 111.458 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -22.8 16.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.594 0.235 . . . . 0.95 110.497 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.9 12.13 55.78 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.949 -0.643 . . . . 0.84 113.275 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.555 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 26.4 mt-30 -136.03 113.04 10.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.793 0.33 . . . . 1.26 110.176 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -78.27 113.35 17.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.112 -0.495 . . . . 0.69 109.719 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 36.5 p30 -92.93 -169.87 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.023 0.44 . . . . 0.97 111.1 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -57.13 -55.01 40.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.782 -0.644 . . . . 1.35 111.73 -178.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 0.4 OUTLIER -58.85 -49.19 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 2.6 111.663 -177.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.43 -43.61 88.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.097 -0.501 . . . . 0.66 111.102 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.502 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 68.3 t80 -68.05 -42.66 80.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.411 . . . . 0.88 111.491 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 138' ' ' TYR . 61.3 t -59.03 -47.25 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.7 110.805 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 139' ' ' GLU . 42.3 mt-30 -69.19 -8.91 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.368 0.507 . . . . 1.5 112.368 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.54 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.6 tmm? -103.47 -37.75 7.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 0.89 111.858 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.631 ' SD ' HG22 ' B' ' 8' ' ' THR . 42.4 ttp -93.77 -45.22 7.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.763 0.316 . . . . 1.47 111.785 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -81.37 -17.3 49.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.076 0.465 . . . . 1.07 112.021 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.583 -0.28 . . . . 1.33 110.711 179.494 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.501 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.8 mtp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.432 0.634 . . . . 2.55 110.112 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 2' ' ' ASP . 0.0 OUTLIER -61.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.948 -1.024 . . . . 1.88 111.034 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.73 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 84.9 m -59.83 -31.02 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.512 0.672 . . . . 0.64 110.242 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.662 ' HB3' ' OE2' ' A' ' 87' ' ' GLU . 3.3 mm? -67.51 -52.55 37.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 1.25 111.508 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.766 ' SG ' HG21 ' A' ' 91' ' ' VAL . 15.3 p -61.28 -21.53 64.01 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.725 -0.472 . . . . 0.61 109.725 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.763 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.97 -46.93 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 107.595 -1.261 . . . . 0.62 107.595 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.61 -42.46 96.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 109.604 -0.517 . . . . 0.57 109.604 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.631 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -64.8 -41.9 95.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.63 110.674 179.21 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.8 m -61.39 -45.4 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.83 109.926 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 11' ' ' GLU . 12.6 mmtt -65.14 -36.98 85.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.193 -0.458 . . . . 2.03 110.135 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -66.89 -45.54 77.69 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.247 -0.433 . . . . 1.32 109.861 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 91.6 t80 -63.31 -40.61 97.82 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.075 -0.343 . . . . 1.21 110.075 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.792 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.11 -39.58 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.316 -0.402 . . . . 3.1 110.346 178.017 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -64.78 -35.29 80.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.097 0.475 . . . . 1.47 110.001 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -23.93 62.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.467 -0.788 . . . . 1.41 111.755 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -40.26 94.49 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.744 0.307 . . . . 2.65 110.781 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.65 84.12 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.556 -0.905 . . . . 4.01 108.556 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -146.6 -66.83 0.28 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.077 -0.51 . . . . 3.44 112.0 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.826 -0.607 . . . . 4.48 110.717 -179.185 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.72 0.295 . . . . 1.25 111.501 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.12 -24.61 66.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 1.97 111.394 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.48 -44.27 96.09 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.25 -0.648 . . . . 1.98 109.25 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.55 -45.84 88.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 1.62 109.967 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm -55.63 -36.84 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.195 0.521 . . . . 1.13 109.833 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -67.89 -35.16 78.02 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.676 -0.693 . . . . 0.74 110.124 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.89 -47.63 58.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.119 -0.491 . . . . 1.57 110.311 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -56.18 -29.34 60.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.513 -0.312 . . . . 1.85 111.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 1.1 ttpm? -53.01 -34.29 55.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.086 -0.506 . . . . 1.5 110.675 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -39.96 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.595 -0.73 . . . . 1.64 109.729 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.63 80.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.579 . . . . 0.51 110.088 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -52.24 -46.22 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.276 0.36 . . . . 1.23 110.693 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -73.6 -12.04 60.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.126 0.489 . . . . 0.77 110.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.07 -51.56 5.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.8 -0.444 . . . . 1.43 109.8 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.711 ' CE2' HD12 ' B' ' 6' ' ' ILE . 41.1 m-85 -69.36 -40.66 77.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.582 -0.281 . . . . 0.56 110.79 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.85 137.53 41.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.54 110.808 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -142.22 21.05 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.066 -0.515 . . . . 0.73 110.667 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -127.55 -16.0 4.91 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.433 -0.349 . . . . 0.57 111.341 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.18 21.11 57.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 0.59 112.211 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -26.13 16.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.026 0.441 . . . . 0.58 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -5.17 76.41 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.985 -0.626 . . . . 0.74 113.559 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -110.44 154.74 23.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.174 0.512 . . . . 0.47 111.307 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.605 HG21 HD12 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -90.32 132.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.359 -0.837 . . . . 0.41 111.07 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -123.04 179.66 4.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.203 -0.666 . . . . 0.41 109.203 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -32.63 31.49 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.496 0.665 . . . . 0.6 110.105 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -76.39 -32.95 58.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 2.22 112.245 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.604 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.3 mt-10 -71.53 -50.5 30.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.938 -0.476 . . . . 0.42 111.283 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.8 mp -65.79 -31.12 71.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.133 0.492 . . . . 0.5 109.868 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.23 88.71 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.307 -0.717 . . . . 0.5 111.307 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -62.36 -43.52 98.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.84 -0.18 . . . . 0.6 111.103 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -65.55 -38.4 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 121.262 0.554 . . . . 0.63 109.754 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtm -69.12 -9.88 54.94 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.529 -0.76 . . . . 1.07 111.565 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -86.74 -40.85 14.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.06 -0.719 . . . . 1.82 109.06 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -72.71 -12.35 60.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.241 -0.89 . . . . 0.8 111.64 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.15 6.45 25.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.86 110.108 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.0 26.84 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.848 -0.691 . . . . 0.89 111.486 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -137.74 156.85 47.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.615 -0.513 . . . . 1.25 109.615 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -139.13 85.06 16.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 120.939 0.4 . . . . 1.37 110.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -89.94 142.51 3.92 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 122.901 2.401 . . . . 0.74 112.214 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.456 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -95.99 -177.23 3.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.116 -0.493 . . . . 1.04 109.874 178.011 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.2 -30.47 6.99 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.007 1.114 . . . . 2.18 114.007 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.5 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.295 0.569 . . . . 0.63 110.524 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 44' ' ' THR . 2.8 mp0 -76.19 -38.32 56.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 1.57 109.623 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 52' ' ' ILE . 40.5 mt -56.72 -34.0 67.06 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.64 111.222 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -88.99 -29.8 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.75 -0.463 . . . . 1.26 109.75 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.9 -43.01 90.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.831 -0.803 . . . . 1.38 108.831 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 18.7 mmt -58.25 -51.34 70.17 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.014 -0.993 . . . . 1.38 110.606 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 48' ' ' LEU . 40.3 mm -60.42 -35.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.677 . . . . 0.48 111.659 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -53.6 -36.55 62.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.672 0.619 . . . . 1.4 112.672 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -30.32 69.74 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.364 0.602 . . . . 2.84 110.524 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.2 t -95.73 -49.52 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.824 -0.625 . . . . 0.82 110.874 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.65 124.54 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.314 -0.857 . . . . 0.55 111.668 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.42 -8.36 3.72 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.578 -0.737 . . . . 0.68 110.187 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -19.97 24.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.628 . . . . 0.74 110.751 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 53.08 3.11 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.559 -0.829 . . . . 0.9 111.779 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.031 -0.268 . . . . 0.6 110.813 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.53 39.66 4.38 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.38 -0.914 . . . . 0.52 112.4 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 m -154.95 133.82 12.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.765 0.317 . . . . 0.57 110.881 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.605 HD12 HG21 ' A' ' 27' ' ' ILE . 61.7 mt -75.72 98.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 108.738 -0.838 . . . . 0.46 108.738 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.5 p30 -103.24 178.93 4.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.52 112.151 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 68.1 t80 -67.19 -48.89 47.03 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.654 -0.703 . . . . 1.15 112.746 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.2 Cg_exo -52.76 -54.01 5.86 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.848 1.699 . . . . 0.63 112.55 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -65.14 -27.78 68.97 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.054 -0.258 . . . . 0.51 110.845 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.2 t80 -61.2 -34.5 75.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.72 0.638 . . . . 1.44 109.947 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.37 -55.55 15.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.374 -0.375 . . . . 0.89 110.472 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -39.23 90.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.74 110.728 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' MET . . . . . 1.014 ' HG2' HD21 ' B' ' 4' ' ' LEU . 6.2 ttp -58.05 -51.5 69.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.102 -0.954 . . . . 0.71 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.468 ' SD ' HG13 ' B' ' 7' ' ' VAL . 2.7 tmm? -67.14 -38.76 86.09 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.32 -0.855 . . . . 1.69 110.844 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.24 73.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.73 0.3 . . . . 0.63 111.76 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -72.19 -34.39 68.37 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.487 -0.324 . . . . 1.45 111.31 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.906 ' HE3' HD22 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -102.58 11.86 37.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.86 111.693 -178.722 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.9 ttm -83.28 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.502 0.667 . . . . 1.68 109.871 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -126.93 48.43 2.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.608 -0.724 . . . . 1.95 109.284 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -53.37 123.45 12.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.913 -1.039 . . . . 1.41 111.002 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.32 25.76 1.86 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.849 -1.069 . . . . 1.45 108.387 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -137.27 25.76 2.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 113.885 -1.507 . . . . 1.78 107.275 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -35.1 104.09 0.03 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 113.519 -1.673 . . . . 1.1 114.248 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -126.91 -66.8 0.88 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.909 -1.041 . . . . 1.86 109.462 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.44 -34.8 12.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.087 0.47 . . . . 2.7 110.163 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.701 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 1.2 pm0 -60.73 -42.58 97.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.313 -0.858 . . . . 1.27 111.184 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.64 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -58.87 -39.55 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.18 -0.674 . . . . 1.5 109.18 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -43.57 55.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.768 -0.651 . . . . 2.57 109.985 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' HA ' ' B' ' 5' ' ' CYS . 0.1 OUTLIER -54.68 -54.53 40.54 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.184 -0.462 . . . . 1.47 111.449 179.081 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.06 64.27 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.819 0.343 . . . . 0.41 110.918 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.64 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -77.14 -38.37 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.144 -0.687 . . . . 0.75 109.144 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -72.07 -36.78 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 2.35 111.188 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.744 HG21 ' SG ' ' B' ' 5' ' ' CYS . 91.4 t -69.94 -37.27 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.375 -0.375 . . . . 0.47 110.201 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -79.39 -31.13 42.74 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.795 0.331 . . . . 0.47 111.358 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.23 87.61 5.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.8 110.559 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -77.51 -24.01 50.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 1.7 111.928 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -84.0 -20.2 33.22 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.262 -0.575 . . . . 0.67 110.773 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.45 65.91 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.099 -0.572 . . . . 0.72 113.09 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.3 -17.27 23.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.18 0.49 . . . . 0.72 110.964 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.61 3.96 59.44 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.583 -0.818 . . . . 0.58 113.356 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.25 117.81 23.01 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.566 -0.373 . . . . 1.57 110.456 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 mt -95.71 139.07 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.69 110.975 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.3 p -151.62 -168.34 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.637 -0.505 . . . . 1.14 109.637 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 8.94 1.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.948 0.88 . . . . 1.3 110.43 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -76.74 -81.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.828 -1.533 . . . . 0.93 110.292 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -76.24 -27.19 56.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.83 112.187 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.06 -39.76 93.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.466 0.65 . . . . 0.63 110.108 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.19 -42.32 90.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.579 -0.737 . . . . 1.18 111.099 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.52 -42.7 78.15 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.83 111.223 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 104' ' ' GLU . 45.2 t -64.07 -37.19 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.886 0.374 . . . . 0.53 110.091 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -41.78 93.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.86 109.914 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -72.81 -33.32 66.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.67 110.615 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -44.41 75.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.88 110.518 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.11 -27.79 64.87 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.93 110.551 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.78 35.6 24.64 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.238 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 164.76 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.697 0.284 . . . . 1.61 110.351 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -83.76 58.96 4.91 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.019 0.438 . . . . 1.18 111.134 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.633 HD11 ' HD2' ' B' ' 13' ' ' ARG . 5.8 mp -134.25 123.22 23.9 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.27 110.875 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.7 p -96.13 -170.47 2.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.171 -0.468 . . . . 1.04 109.912 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -55.95 -49.03 74.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.917 0.389 . . . . 1.38 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.72 -35.17 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.733 -0.667 . . . . 2.33 111.516 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.81 -34.87 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 1.86 111.166 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 117' ' ' THR . 59.3 t -65.32 -43.65 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.397 0.618 . . . . 0.76 109.789 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.26 -40.24 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.96 110.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.6 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 19.0 tp10 -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 1.2 110.164 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.756 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 17.4 ttt -66.98 -39.04 87.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.825 -0.625 . . . . 0.76 110.859 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -53.52 -28.25 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.071 0.463 . . . . 0.92 111.83 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.6 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 22.4 mtm105 -84.55 13.45 5.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 0.94 112.427 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.808 -0.812 . . . . 2.04 108.808 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.51 -19.15 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.96 110.759 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.459 ' HA ' ' OE2' ' A' ' 140' ' ' GLU . 5.4 t70 -73.78 99.36 3.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.295 0.569 . . . . 0.87 110.583 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.7 mm -99.24 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.696 -0.684 . . . . 1.01 111.498 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -76.14 -18.74 58.99 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.78 0.289 . . . . 1.02 111.78 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.74 46.32 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.899 -0.667 . . . . 0.94 111.44 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 -30.65 5.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.611 0.243 . . . . 0.95 110.774 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.59 -11.26 46.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.577 -0.82 . . . . 0.84 113.709 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.29 121.57 44.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.267 0.533 . . . . 1.26 110.236 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.22 113.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.148 -0.478 . . . . 0.69 110.238 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -95.4 174.52 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.451 -0.34 . . . . 0.97 110.586 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 142' ' ' VAL . 1.0 OUTLIER -49.67 -52.11 33.37 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 122.786 0.435 . . . . 1.35 111.911 -178.794 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.24 -48.04 74.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 2.6 111.019 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 144' ' ' MET . 43.1 mt-10 -65.19 -36.42 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.66 111.178 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.467 ' HE1' ' CE1' ' B' ' 12' ' ' TYR . 2.8 t80 -72.94 -43.12 62.73 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.12 -0.232 . . . . 0.88 110.636 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 138' ' ' TYR . 74.0 t -61.94 -50.55 79.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.183 0.516 . . . . 0.7 110.46 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -62.21 -19.1 62.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.02 -0.991 . . . . 1.5 111.791 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 1.0 OUTLIER -104.27 -21.7 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.107 0.41 . . . . 0.89 112.107 -178.864 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 44.0 mmm -88.61 -54.0 4.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.275 -0.266 . . . . 1.47 110.972 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -81.07 -41.73 22.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 1.07 111.22 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.334 -0.394 . . . . 1.33 111.134 -179.691 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.637 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.185 -0.302 . . . . 2.55 110.185 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ASP . . . . . 0.491 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -28.56 -75.84 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.026 1.491 . . . . 1.88 115.026 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.599 ' SG ' HD21 ' A' ' 32' ' ' LEU . 72.6 m -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.398 0.518 . . . . 0.64 112.398 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 1.014 HD21 ' HG2' ' A' ' 71' ' ' MET . 6.4 mt -76.94 -42.86 37.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.169 0.433 . . . . 1.25 112.169 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.744 ' SG ' HG21 ' A' ' 91' ' ' VAL . 31.6 p -63.08 -25.81 68.54 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.353 -0.98 . . . . 0.61 108.353 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.711 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -65.84 -42.18 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.498 -1.297 . . . . 0.62 107.498 176.595 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 3' ' ' CYS . 41.9 t -63.45 -45.22 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.539 -0.755 . . . . 0.57 109.832 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -67.53 -36.67 81.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.063 -0.517 . . . . 0.63 110.424 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.607 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.2 m -65.36 -34.95 79.52 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.81 -0.811 . . . . 0.83 108.81 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -69.22 -35.19 75.92 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.801 -0.636 . . . . 2.03 109.59 178.598 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -68.44 -48.7 63.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.2 -0.667 . . . . 1.32 109.2 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.467 ' CE1' ' HE1' ' A' ' 141' ' ' PHE . 72.1 t80 -61.42 -41.75 97.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.358 -0.837 . . . . 1.21 108.868 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.756 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -70.4 -15.16 62.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.497 -0.774 . . . . 3.1 110.604 179.17 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 2.1 t80 -90.27 -23.57 21.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.775 -0.648 . . . . 1.47 109.435 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' B' ' 15' ' ' GLN . 0.5 OUTLIER -74.47 -22.15 59.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.347 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -35.54 81.35 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.384 -0.969 . . . . 2.65 108.384 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -76.58 76.8 3.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.605 -1.179 . . . . 4.01 110.071 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -161.53 -34.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.462 -0.495 . . . . 3.44 112.194 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.722 -0.656 . . . . 4.48 110.783 -179.854 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 110.639 -0.134 . . . . 1.25 110.639 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.96 -37.79 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.97 111.364 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp0 -60.42 -45.54 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 1.98 110.724 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -60.17 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.759 -0.46 . . . . 1.62 109.759 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.91 -40.94 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.704 -0.68 . . . . 1.13 110.604 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.47 86.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.995 0.426 . . . . 0.74 110.824 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 56.9 mt-10 -67.69 -47.58 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 1.57 109.973 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 19.3 m-85 -63.66 -32.01 73.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.379 -0.373 . . . . 1.85 111.046 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -56.24 -37.79 70.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.293 -0.632 . . . . 1.5 109.293 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.85 -39.46 72.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.236 -0.893 . . . . 1.64 110.228 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -47.19 86.77 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.304 -0.628 . . . . 0.51 109.304 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -35.8 71.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.175 -0.92 . . . . 1.23 109.974 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -70.68 -23.12 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.663 -0.699 . . . . 0.77 111.816 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -90.34 -31.99 16.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.461 -0.496 . . . . 1.43 110.225 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -72.16 -45.11 61.75 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.275 0.56 . . . . 0.56 110.221 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.88 143.71 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.501 -0.772 . . . . 0.54 111.504 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -139.86 14.57 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.73 110.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -123.84 -20.43 5.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.887 0.328 . . . . 0.57 111.887 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.5 21.0 59.12 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.147 -0.549 . . . . 0.59 112.387 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -22.62 20.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.373 -0.487 . . . . 0.58 110.365 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.19 5.71 65.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.647 -0.787 . . . . 0.74 113.14 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 143.56 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.108 0.454 . . . . 0.47 111.004 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.806 HG21 HG13 ' A' ' 63' ' ' ILE . 1.9 mt -76.09 140.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.41 110.391 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -128.18 -179.12 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.3 -0.63 . . . . 0.41 109.3 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -37.91 31.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.624 0.726 . . . . 0.6 110.934 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -74.61 -26.85 60.18 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.403 -0.817 . . . . 2.22 111.939 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -75.01 -50.43 16.58 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.09 0.472 . . . . 0.42 110.505 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.3 mp -67.07 -38.0 85.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.5 111.154 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.89 -34.04 70.42 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.789 -0.719 . . . . 0.5 112.144 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.8 m -63.59 -40.14 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.761 -0.459 . . . . 0.6 109.761 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.46 -45.03 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.943 0.401 . . . . 0.63 111.015 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.512 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -67.57 -11.85 59.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 1.07 110.432 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -82.54 -41.59 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.735 -0.839 . . . . 1.82 108.735 179.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . 0.537 ' HB2' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -71.24 -15.37 62.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.8 110.996 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -79.46 -1.85 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.139 -0.482 . . . . 0.86 110.962 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.28 25.12 27.11 Favored Glycine 0 CA--C 1.503 -0.661 0 C-N-CA 121.065 -0.588 . . . . 0.89 112.277 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.547 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 37.1 mt-30 -127.94 144.76 51.1 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 1.25 109.444 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -134.64 90.87 22.33 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.415 -0.587 . . . . 1.37 109.415 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 19.7 Cg_endo -89.57 153.7 5.27 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.722 2.948 . . . . 0.74 112.8 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.69 174.31 8.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.089 -0.338 . . . . 1.04 110.089 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -56.15 -27.23 53.43 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.682 0.277 . . . . 2.18 110.791 179.447 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' ASP . . . -70.51 -39.61 74.02 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.206 0.527 . . . . 0.63 109.642 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.42 -40.53 61.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.768 -0.651 . . . . 1.57 110.195 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 52' ' ' ILE . 54.2 mt -64.98 -22.03 66.94 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.562 -0.744 . . . . 0.64 110.955 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 1.5 tp-100 -90.08 -42.92 10.83 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.36 -0.978 . . . . 1.26 108.36 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.5 t70 -59.06 -41.98 89.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.749 -1.114 . . . . 1.38 110.228 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.2 mmt -54.06 -49.39 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.35 -0.841 . . . . 1.38 111.269 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 48' ' ' LEU . 19.1 mm -68.23 -31.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 0.48 111.541 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.17 -27.21 66.94 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.443 0.64 . . . . 1.4 111.776 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 12.1 mm-40 -82.39 6.98 15.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.886 -0.597 . . . . 2.84 111.283 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.706 HG11 HD13 ' A' ' 63' ' ' ILE . 90.3 t -130.51 -41.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.644 0.735 . . . . 0.82 109.493 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 7.8 t70 -70.18 135.36 49.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.902 -1.045 . . . . 0.55 110.562 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.9 -14.98 3.46 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.01 -0.541 . . . . 0.68 110.813 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.512 ' OD1' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -79.73 -23.63 42.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.74 110.257 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 40.36 4.95 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.794 -0.717 . . . . 0.9 112.232 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -120.05 -23.61 6.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 0.6 110.496 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 73.3 52.47 8.66 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.971 -0.633 . . . . 0.52 112.371 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.1 m -160.14 126.05 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.411 0.284 . . . . 0.57 110.529 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.806 HG13 HG21 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.49 102.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.115 -0.698 . . . . 0.46 109.115 178.66 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.2 p30 -106.1 178.64 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.52 110.194 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.08 -48.25 70.94 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 112.842 0.682 . . . . 1.15 112.842 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -54.28 -45.41 41.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 121.873 1.716 . . . . 0.63 112.245 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -75.83 -30.08 58.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.953 -0.388 . . . . 0.51 109.953 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.598 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.0 t80 -59.9 -40.98 90.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.969 -0.56 . . . . 1.44 110.5 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.29 -54.6 19.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.89 111.746 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -60.47 -47.78 84.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.327 0.584 . . . . 0.74 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.758 ' HG3' HD22 ' B' ' 4' ' ' LEU . 1.6 ttp -60.77 -40.88 94.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.01 -0.996 . . . . 0.71 110.733 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.598 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 4.5 tmm? -66.03 -57.16 8.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 1.69 110.35 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.99 -28.07 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.116 -0.493 . . . . 0.63 111.439 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.735 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -76.11 -15.61 60.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.224 0.453 . . . . 1.45 112.224 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' NZ ' ' HG ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -113.17 -34.24 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.274 -0.57 . . . . 0.86 112.149 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.594 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 7.5 tmm? -61.75 -40.69 96.02 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.649 0.262 . . . . 1.68 110.324 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -112.12 20.96 16.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.71 0.29 . . . . 1.95 110.777 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.735 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.3 t70 -69.04 135.41 50.8 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.246 0.546 . . . . 1.41 111.678 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.46 21.66 1.18 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.163 -0.926 . . . . 1.45 109.866 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.96 26.89 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.376 -0.972 . . . . 1.78 108.376 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -41.59 124.01 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 113.365 -1.743 . . . . 1.1 114.014 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -121.7 -46.86 2.22 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.138 0.494 . . . . 1.86 109.693 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.299 -0.41 . . . . 2.7 110.916 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 2.0 pm0 -53.14 -37.37 61.75 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.63 0.581 . . . . 1.27 110.985 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.651 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 45.1 mt -53.97 -49.97 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 121.338 0.59 . . . . 1.5 109.92 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -47.47 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.347 -0.842 . . . . 2.57 110.589 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' OE2' ' HG2' ' B' ' 1' ' ' MET . 3.2 tt0 -48.41 -62.25 1.59 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.735 -0.666 . . . . 1.47 112.113 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -21.14 65.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 111.732 0.271 . . . . 0.41 111.732 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.651 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.39 -37.52 65.94 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 109.629 -0.508 . . . . 0.75 109.629 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -75.98 -28.94 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 2.35 110.245 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.74 HG21 ' SG ' ' B' ' 5' ' ' CYS . 79.8 t -74.1 -37.27 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.051 0.453 . . . . 0.47 109.976 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -82.97 -48.06 11.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.902 -0.59 . . . . 0.47 111.073 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.36 111.32 16.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.271 0.557 . . . . 0.8 109.791 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 38.4 tttm -97.41 -31.29 12.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.799 -0.637 . . . . 1.7 111.864 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -75.2 -19.21 59.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.318 . . . . 0.67 110.54 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.09 78.51 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.819 -0.705 . . . . 0.72 112.198 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.525 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -85.53 -18.52 33.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.493 0.187 . . . . 0.72 110.876 -178.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.8 27.16 24.92 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.589 -0.815 . . . . 0.58 113.426 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HB2' HD21 ' A' ' 97' ' ' ASN . 12.5 m-85 -144.69 113.16 6.61 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.909 0.385 . . . . 1.57 110.263 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 33.5 mt -89.75 139.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.588 . . . . 0.69 111.071 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 103' ' ' ALA . 4.2 p -152.55 -170.71 3.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.274 -0.269 . . . . 1.14 110.274 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.63 9.81 1.3 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.644 1.211 . . . . 1.3 109.414 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -82.1 -77.28 0.23 Allowed 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.341 -1.754 . . . . 0.93 109.631 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.9 mt-10 -80.89 -32.55 34.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.461 -0.79 . . . . 0.83 113.006 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.489 HD23 HG13 ' A' ' 121' ' ' VAL . 1.3 tp -59.22 -40.55 86.22 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.21 0.528 . . . . 0.63 110.697 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -57.29 -43.36 83.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.895 -1.048 . . . . 1.18 110.254 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.18 -47.27 86.94 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.83 110.732 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 104' ' ' GLU . 5.9 t -62.13 -46.5 96.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 111.82 0.304 . . . . 0.53 111.82 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.38 92.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.793 0.33 . . . . 0.86 111.215 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -71.88 -26.52 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.67 110.612 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASN . . . . . 0.537 ' OD1' ' HB2' ' A' ' 38' ' ' SER . 1.2 t-20 -79.56 -45.65 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.507 -0.315 . . . . 0.88 110.789 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.89 -43.91 97.88 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.297 0.57 . . . . 0.93 110.391 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.05 33.76 1.6 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.177 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.445 ' OE2' ' HD3' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -77.6 157.69 30.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.142 0.496 . . . . 1.61 110.692 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -90.53 28.25 1.53 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.963 -0.562 . . . . 1.18 110.962 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -109.04 122.94 48.33 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.187 0.44 . . . . 1.27 112.187 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 -171.95 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 1.04 109.737 177.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.51 -45.34 94.16 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.864 0.32 . . . . 1.38 111.864 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.26 -33.78 76.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.847 0.356 . . . . 2.33 110.671 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.17 -33.31 63.43 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.512 -0.767 . . . . 1.86 108.985 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.489 HG13 HD23 ' A' ' 105' ' ' LEU . 3.5 t -65.41 -44.79 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.76 109.349 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.59 -47.07 77.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.836 0.351 . . . . 0.96 110.24 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -57.45 -40.62 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 1.2 110.484 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.735 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 10.7 ttt -69.92 -44.53 69.45 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.433 -0.349 . . . . 0.76 110.903 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.91 -28.66 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 120.993 0.425 . . . . 0.92 111.442 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.13 17.67 0.75 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.484 0.55 . . . . 0.94 112.484 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -40.26 12.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.498 -0.556 . . . . 2.04 109.498 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.45 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -101.98 -22.64 14.25 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.947 -0.569 . . . . 0.96 111.244 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.49 103.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.153 -0.476 . . . . 0.87 109.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 128' ' ' ALA . 23.1 mm -97.36 -28.36 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.974 -0.557 . . . . 1.01 111.199 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -75.88 -22.65 55.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.904 0.383 . . . . 1.02 111.758 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.89 29.33 54.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.634 -0.793 . . . . 0.94 111.552 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.87 -19.27 19.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.73 0.3 . . . . 0.95 110.514 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.95 7.8 67.85 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.007 -0.616 . . . . 0.84 113.358 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.428 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 80.3 mt-30 -132.27 111.03 11.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.663 0.268 . . . . 1.26 110.385 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.0 t -72.38 119.09 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.908 -0.404 . . . . 0.69 109.908 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' ASN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 28.4 p30 -96.72 -175.09 3.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.97 110.423 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.453 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -58.5 -51.79 68.36 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.569 -0.287 . . . . 1.35 111.704 -178.836 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 5.8 mp0 -57.8 -48.04 80.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 2.6 111.527 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.52 -38.18 77.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.66 111.537 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.58 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 7.4 t80 -74.71 -35.25 62.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.88 110.598 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 138' ' ' TYR . 53.5 t -63.62 -42.49 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.93 0.395 . . . . 0.7 109.999 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.533 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 80.1 mt-30 -67.73 -4.12 11.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.113 -0.494 . . . . 1.5 111.342 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.452 ' HE2' ' CE1' ' B' ' 12' ' ' TYR . 4.1 mmm -111.4 -32.14 6.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.89 111.472 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.89 -50.57 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.923 -0.485 . . . . 1.47 111.01 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -79.73 -30.97 41.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.076 -0.511 . . . . 1.07 111.46 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.673 0.273 . . . . 1.33 110.64 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.434 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 4.2 ttt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 122.474 1.13 . . . . 2.55 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ASP . . . . . 0.477 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.81 -55.2 15.08 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.763 -1.562 . . . . 1.88 112.06 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.808 ' SG ' HD21 ' A' ' 32' ' ' LEU . 32.9 m -61.86 -33.04 73.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.528 -0.306 . . . . 0.64 111.348 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.758 HD22 ' HG3' ' A' ' 71' ' ' MET . 2.0 tp -75.79 -41.43 52.93 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.361 -0.381 . . . . 1.25 111.949 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.74 ' SG ' HG21 ' A' ' 91' ' ' VAL . 14.3 p -64.49 -25.5 68.02 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.801 -0.814 . . . . 0.61 108.801 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.77 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.84 -40.41 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 107.221 -1.4 . . . . 0.62 107.221 176.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 3' ' ' CYS . 19.4 t -65.11 -42.28 93.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.262 -0.881 . . . . 0.57 109.28 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.509 ' OG1' ' HG2' ' A' ' 75' ' ' LYS . 4.3 m -66.88 -40.41 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.457 0.646 . . . . 0.63 109.992 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.0 m -63.45 -37.91 89.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.766 -0.827 . . . . 0.83 108.766 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.27 93.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 2.03 109.865 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' OE1' ' B' ' 15' ' ' GLN . 8.0 tttt -63.36 -51.19 66.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.203 -0.666 . . . . 1.32 109.203 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.58 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 56.5 t80 -60.82 -37.22 81.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.21 110.089 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.735 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -80.52 -9.99 59.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.126 -0.488 . . . . 3.1 111.176 179.279 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -94.62 -15.46 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.47 109.757 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.464 ' OE1' ' HE2' ' B' ' 11' ' ' LYS . 0.1 OUTLIER -87.75 -10.19 51.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.795 -0.639 . . . . 1.41 110.041 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -61.27 -33.57 73.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.817 -0.629 . . . . 2.65 111.425 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -109.15 45.66 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.458 0.646 . . . . 4.01 110.533 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -85.06 -58.68 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.144 0.497 . . . . 3.44 109.841 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.389 -0.815 . . . . 4.48 109.622 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.3 0 N-CA-C 110.756 -0.09 . . . . 1.25 110.756 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.44 -33.82 63.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.726 0.641 . . . . 1.97 111.164 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.607 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.8 mp0 -54.38 -46.56 73.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.127 -0.488 . . . . 1.98 110.168 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.19 -46.83 87.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.719 -0.475 . . . . 1.62 109.719 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -52.95 -45.45 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.162 -0.472 . . . . 1.13 110.201 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -64.69 -29.61 70.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.465 -0.788 . . . . 0.74 111.081 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 48.7 mt-10 -74.98 -50.21 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.39 -0.368 . . . . 1.57 110.287 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CZ ' HG13 ' B' ' 7' ' ' VAL . 65.6 m-85 -60.24 -23.04 63.74 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.375 -0.375 . . . . 1.85 110.878 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 2.0 ttpt -51.84 -39.96 59.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.67 -0.695 . . . . 1.5 109.553 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.96 -34.46 73.44 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.425 -0.807 . . . . 1.64 110.452 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -63.67 -50.05 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.51 110.164 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -27.73 68.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.043 -0.354 . . . . 1.23 110.043 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -80.51 -9.13 59.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.77 110.969 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 15' ' ' ALA . 1.6 pp -105.65 -39.35 6.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.894 -0.41 . . . . 1.43 109.894 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' B' ' 6' ' ' ILE . 15.7 m-85 -68.35 -41.16 81.1 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.939 -0.393 . . . . 0.56 109.939 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.66 140.2 39.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.864 -0.607 . . . . 0.54 110.679 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 26.6 mmtm -138.83 20.58 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 0.73 111.441 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -127.83 -26.11 2.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.835 0.309 . . . . 0.57 111.835 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.21 12.64 56.02 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.885 -0.674 . . . . 0.59 112.675 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.7 -27.22 27.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.455 . . . . 0.58 109.993 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 19.05 48.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.571 -0.823 . . . . 0.74 113.889 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.64 146.32 45.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 117.307 0.554 . . . . 0.47 110.373 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.588 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.2 mp -80.04 134.4 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.41 111.2 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.7 p -124.92 176.15 6.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.483 -0.932 . . . . 0.41 108.483 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -78.39 -37.23 44.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.531 0.681 . . . . 0.6 109.4 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.099 -0.955 . . . . 2.22 112.411 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.2 mt-10 -71.64 -57.3 4.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 121.979 -0.451 . . . . 0.42 111.231 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -60.88 -35.91 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.911 -0.586 . . . . 0.5 110.53 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.65 97.14 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.833 -0.621 . . . . 0.5 111.951 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -34.18 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.781 0.324 . . . . 0.6 110.873 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.47 -38.57 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.763 0.315 . . . . 0.63 110.71 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.519 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -74.57 -11.2 60.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.473 . . . . 1.07 110.553 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 21.7 ttp180 -77.63 -44.8 27.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.126 -0.694 . . . . 1.82 109.126 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -7.72 41.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.642 -0.708 . . . . 0.8 111.641 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.69 -1.65 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.86 109.931 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.51 7.05 62.12 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.616 -0.802 . . . . 0.89 111.159 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.3 mm100 -108.75 141.61 40.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.15 -0.525 . . . . 1.25 110.232 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -132.18 77.61 70.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.67 -0.493 . . . . 1.37 109.67 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 73.3 Cg_endo -80.98 159.55 20.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.402 2.068 . . . . 0.74 112.031 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -100.09 174.72 6.03 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.94 -0.573 . . . . 1.04 109.972 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 48' ' ' LEU . 4.7 mm-40 -51.89 -23.7 5.26 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.675 0.62 . . . . 2.18 112.675 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.37 -41.53 63.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.552 0.691 . . . . 0.63 109.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 43' ' ' PRO . 11.7 mp0 -81.13 -40.17 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.447 -0.797 . . . . 1.57 109.672 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' GLU . 37.3 mt -54.25 -45.49 72.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.777 -0.647 . . . . 0.64 111.899 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.6 -24.89 45.19 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.861 -0.335 . . . . 1.26 110.258 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.4 -43.18 96.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.213 0.53 . . . . 1.38 109.812 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.509 ' SD ' ' HG2' ' B' ' 1' ' ' MET . 21.6 mmt -63.75 -45.0 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.333 -0.848 . . . . 1.38 110.513 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.426 HG23 HG13 ' A' ' 63' ' ' ILE . 15.4 mm -66.12 -37.91 80.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 0.48 110.421 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.63 -31.74 72.65 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.155 -0.475 . . . . 1.4 110.862 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -63.06 -36.2 82.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.076 -0.511 . . . . 2.84 109.669 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.749 HG22 HD23 ' B' ' 4' ' ' LEU . 4.7 t -83.83 -36.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 0.82 110.9 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 2.8 t70 -65.39 129.2 38.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.55 112.107 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.6 -15.91 5.93 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.436 -0.802 . . . . 0.68 110.368 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -83.3 -28.27 29.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.758 -0.377 . . . . 0.74 110.696 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.82 33.06 5.68 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.616 -0.802 . . . . 0.9 112.403 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -108.42 -26.9 10.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.554 -0.38 . . . . 0.6 111.119 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.405 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.84 39.2 8.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.52 112.472 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.2 m -159.84 135.06 8.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.411 0.285 . . . . 0.57 110.379 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 8.4 mt -72.77 100.96 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.386 -0.598 . . . . 0.46 109.386 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 1.6 p30 -99.52 -174.89 2.84 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.276 -0.42 . . . . 0.52 111.155 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.83 -47.95 30.92 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 112.578 0.585 . . . . 1.15 112.578 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 76.8 Cg_exo -54.42 -43.77 55.7 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.973 1.782 . . . . 0.63 112.162 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -72.89 -26.8 61.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.349 -0.387 . . . . 0.51 110.179 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.08 -43.52 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 1.44 110.488 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.93 -48.95 67.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.695 -0.684 . . . . 0.89 110.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 m -62.24 -44.48 96.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.125 -0.488 . . . . 0.74 110.668 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.799 ' HG3' HD22 ' B' ' 4' ' ' LEU . 19.1 ttp -56.64 -37.1 70.3 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.56 0.695 . . . . 0.71 110.365 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.582 ' HA ' HG11 ' B' ' 7' ' ' VAL . 34.7 ttm -72.45 -41.4 66.16 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.195 -0.911 . . . . 1.69 110.0 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.1 -38.23 90.04 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.286 -0.415 . . . . 0.63 111.4 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 7.6 ttm180 -66.02 -7.96 20.27 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' CE ' HD12 ' B' ' 4' ' ' LEU . 1.4 tppt? -124.24 -30.2 3.47 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.186 0.439 . . . . 0.86 112.186 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.616 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 8.4 ttm -55.24 -32.84 62.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.143 0.497 . . . . 1.68 110.574 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.616 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 32.8 mtmt -134.49 32.74 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 1.95 110.433 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.6 t70 -68.11 107.77 2.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.01 0.433 . . . . 1.41 110.117 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.7 p -130.33 11.93 5.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.319 0.58 . . . . 1.45 110.598 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -136.09 36.43 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.347 -0.983 . . . . 1.78 108.347 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -36.8 110.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.844 -1.526 . . . . 1.1 114.294 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -84.03 -69.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.089 -1.078 . . . . 1.86 108.089 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -119.84 -5.21 10.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.322 -0.992 . . . . 2.7 108.322 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -50.57 -51.01 52.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.601 -1.181 . . . . 1.27 112.565 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.2 pt -61.3 -33.25 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 1.5 110.71 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -48.36 56.71 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.992 -0.549 . . . . 2.57 109.86 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.57 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -52.0 -51.31 58.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.688 0.617 . . . . 1.47 110.716 178.123 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.55 66.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.739 0.304 . . . . 0.41 111.023 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -81.85 -35.46 29.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.985 0.421 . . . . 0.75 110.039 179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -68.76 -33.55 74.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 2.35 110.261 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.755 HG21 ' SG ' ' B' ' 5' ' ' CYS . 84.7 t -78.83 -35.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.47 110.139 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.444 ' HZ ' HG23 ' B' ' 9' ' ' THR . 4.2 m-30 -79.68 -42.53 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.47 112.085 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.8 97.39 11.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.8 110.368 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -80.52 -26.98 37.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 1.7 112.324 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -80.86 -17.42 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.43 -0.508 . . . . 0.67 111.175 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.96 27.39 70.57 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.954 -0.641 . . . . 0.72 113.573 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.501 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.0 p-10 -92.94 -19.46 21.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.519 0.66 . . . . 0.72 111.975 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.77 4.35 56.93 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.483 -0.865 . . . . 0.58 113.159 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.501 ' HB2' HD21 ' A' ' 97' ' ' ASN . 79.8 m-85 -133.38 108.2 8.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.731 -0.47 . . . . 1.57 109.731 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.36 117.65 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.488 -0.56 . . . . 0.69 109.488 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.2 172.23 6.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 1.14 111.847 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.35 79.2 0.54 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.483 -0.78 . . . . 1.3 109.737 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 175.03 -48.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.284 -0.871 . . . . 0.93 110.956 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.81 -44.9 84.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.503 -0.771 . . . . 0.83 110.186 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.01 -35.2 80.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.428 -0.806 . . . . 0.63 109.005 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.1 mtt85 -57.78 -50.3 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.543 -0.753 . . . . 1.18 110.723 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -63.62 -54.52 34.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.83 110.957 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.1 t -54.65 -47.77 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 111.894 0.331 . . . . 0.53 111.894 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 0.86 111.584 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.2 m -79.45 -31.23 42.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.396 . . . . 0.67 110.846 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -45.19 78.19 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.88 110.446 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.53 -25.65 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.73 -0.668 . . . . 0.93 110.097 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 55.46 2.78 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.844 -0.694 . . . . 0.89 111.7 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.23 159.37 14.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.902 -0.407 . . . . 1.61 109.902 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.47 38.7 0.79 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.28 -0.418 . . . . 1.18 110.247 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 120' ' ' GLU . 1.3 mp -107.14 113.97 27.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.35 -0.387 . . . . 1.27 111.404 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.42 10.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.039 -0.528 . . . . 1.04 110.181 178.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.55 -52.02 50.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.729 0.64 . . . . 1.38 112.729 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -24.5 66.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.446 -0.343 . . . . 2.33 111.525 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.405 ' HB3' ' HG ' ' A' ' 116' ' ' LEU . 24.0 mm-40 -79.78 -34.56 39.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.86 110.33 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.7 -39.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.058 -0.719 . . . . 0.76 109.058 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.51 -40.86 93.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.38 -0.827 . . . . 0.96 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -61.14 -39.37 89.8 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.038 -0.727 . . . . 1.2 109.038 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.645 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.1 ttt -67.99 -39.26 83.3 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.26 -0.882 . . . . 0.76 109.412 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -55.21 -24.4 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.523 -0.762 . . . . 0.92 111.882 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.416 ' HA ' ' CB ' ' A' ' 129' ' ' ASP . 21.8 mtm105 -99.05 7.21 46.15 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.608 0.596 . . . . 0.94 112.608 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.635 ' OE2' ' HG3' ' A' ' 124' ' ' MET . 10.0 pt-20 -70.24 -41.44 73.52 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.461 -0.496 . . . . 2.04 109.95 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' HA ' ' HG3' ' A' ' 144' ' ' MET . . . -104.08 -7.29 20.36 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.96 110.969 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 4.6 t70 -76.19 100.95 5.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.547 -0.751 . . . . 0.87 110.118 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 mm -99.21 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.555 -0.748 . . . . 1.01 111.154 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -86.27 -28.51 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.449 -0.341 . . . . 1.02 110.345 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.64 48.87 5.38 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.377 -0.689 . . . . 0.94 111.377 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -17.15 7.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.741 0.274 . . . . 0.95 111.741 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.61 3.45 66.57 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.398 -0.906 . . . . 0.84 113.647 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -124.16 115.49 21.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.297 0.549 . . . . 1.26 110.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 141' ' ' PHE . 97.2 t -77.05 97.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.24 -0.652 . . . . 0.69 109.24 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 174.2 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.54 . . . . 0.97 110.377 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -53.86 -51.75 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.33 0.493 . . . . 1.35 112.33 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -65.21 -37.53 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.865 0.321 . . . . 2.6 111.865 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.626 ' O ' ' HB2' ' A' ' 144' ' ' MET . 19.1 mt-10 -63.08 -38.97 93.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.66 111.022 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' B' ' 12' ' ' TYR . 51.8 t80 -80.59 -37.27 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.255 -0.429 . . . . 0.88 111.399 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.2 t -61.22 -49.66 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.99 0.424 . . . . 0.7 110.923 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -78.72 1.11 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.052 -0.522 . . . . 1.5 112.213 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.626 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 2.0 tmm? -109.91 -38.2 5.41 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.494 -0.482 . . . . 0.89 112.103 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.643 ' SD ' HG22 ' B' ' 8' ' ' THR . 41.2 ttp -84.4 -44.9 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.253 -0.579 . . . . 1.47 110.802 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.5 m -71.9 -41.96 67.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.823 0.344 . . . . 1.07 111.427 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 1.33 110.912 -179.115 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.524 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 9.4 ptp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.787 0.327 . . . . 2.55 111.055 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ASP . . . . . 0.441 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.01 -72.46 0.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.182 0.515 . . . . 1.88 110.041 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.737 ' SG ' HD21 ' A' ' 32' ' ' LEU . 76.7 m -65.38 -24.53 67.25 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.809 0.814 . . . . 0.64 108.982 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.799 HD22 ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -66.36 -50.31 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.664 -1.153 . . . . 1.25 109.985 178.682 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.755 ' SG ' HG21 ' A' ' 91' ' ' VAL . 13.7 p -64.8 -24.07 67.44 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.692 -0.231 . . . . 0.61 110.851 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.77 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.19 -41.57 91.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.428 -0.953 . . . . 0.62 108.428 177.109 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 72' ' ' MET . 2.6 t -66.09 -38.06 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.607 -0.516 . . . . 0.57 109.607 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.643 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -69.54 -41.09 76.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.272 -0.422 . . . . 0.63 110.963 179.224 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 96.2 m -62.15 -33.27 74.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.481 -0.933 . . . . 0.83 108.481 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -68.68 -43.6 75.8 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.918 -1.037 . . . . 2.03 109.823 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -62.5 -45.81 91.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.186 -0.672 . . . . 1.32 109.186 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.525 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 90.3 t80 -62.99 -46.5 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.921 -0.581 . . . . 1.21 109.832 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.645 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -71.28 -11.87 61.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.935 -0.575 . . . . 3.1 111.15 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -102.04 -9.06 20.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.935 -0.575 . . . . 1.47 109.855 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 144' ' ' MET . 6.1 tp60 -74.73 -38.45 62.27 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.279 -0.873 . . . . 1.41 109.798 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.84 -37.79 66.61 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.526 0.679 . . . . 2.65 109.727 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.04 87.75 3.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.404 -0.816 . . . . 4.01 109.316 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -158.03 -55.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.926 -0.579 . . . . 3.44 110.753 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.68 -0.691 . . . . 4.48 110.408 179.345 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.318 0 N-CA-C 112.079 0.4 . . . . 1.25 112.079 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.75 -26.53 65.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.814 -0.63 . . . . 1.97 111.557 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 19.2 mp0 -59.19 -47.99 83.29 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.024 -0.732 . . . . 1.98 109.024 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.61 -44.74 95.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.512 -0.767 . . . . 1.62 109.661 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.9 -43.94 36.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.116 -0.493 . . . . 1.13 110.357 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -66.87 -31.77 72.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.74 111.081 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 74.5 mt-10 -72.1 -49.25 37.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 1.57 110.477 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -60.36 -29.34 68.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.461 -0.336 . . . . 1.85 110.529 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttpt -55.79 -40.24 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.237 -0.653 . . . . 1.5 109.237 176.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -69.89 -37.67 76.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.659 . . . . 1.64 109.591 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.707 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -61.83 -51.84 66.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.466 -0.788 . . . . 0.51 109.999 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -32.79 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 1.23 110.098 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 m -71.52 -18.5 62.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.612 -0.722 . . . . 0.77 111.645 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -93.68 -39.03 11.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.21 -0.596 . . . . 1.43 110.486 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.715 ' CE2' HD12 ' B' ' 6' ' ' ILE . 29.4 m-85 -69.06 -40.38 78.56 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.56 110.451 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.27 138.5 34.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.54 110.744 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -141.24 8.53 2.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.168 -0.469 . . . . 0.73 111.188 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -112.95 -17.93 12.35 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.824 0.305 . . . . 0.57 111.824 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 11.67 68.12 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.292 -0.956 . . . . 0.59 112.26 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -27.88 25.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.58 110.196 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.9 5.1 68.63 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.8 -0.714 . . . . 0.74 114.215 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.1 158.61 30.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.231 0.515 . . . . 0.47 110.581 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.564 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.5 mp -90.09 127.56 42.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.119 0.485 . . . . 0.41 111.921 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.3 p -119.45 173.85 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.886 -0.783 . . . . 0.41 108.886 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -80.79 -27.49 36.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.628 0.727 . . . . 0.6 109.872 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -67.44 -38.49 84.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.617 -1.174 . . . . 2.22 112.256 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.9 mt-10 -75.61 -54.48 6.91 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.701 0.63 . . . . 0.42 112.701 -177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD21 ' SG ' ' B' ' 3' ' ' CYS . 10.1 mp -62.61 -34.72 77.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.5 110.619 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.55 91.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.927 -0.654 . . . . 0.5 112.155 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.3 m -63.23 -37.36 86.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.777 0.322 . . . . 0.6 111.076 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.1 -41.38 67.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.417 0.627 . . . . 0.63 110.324 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.2 ttm -65.35 -11.19 39.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.404 -0.816 . . . . 1.07 111.042 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 8.9 ttp180 -85.57 -40.69 16.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.489 -0.778 . . . . 1.82 109.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -69.12 -11.43 60.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.456 -0.793 . . . . 0.8 111.418 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.57 12.94 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.154 0.502 . . . . 0.86 109.789 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.26 25.09 71.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.782 -0.644 . . . . 0.89 112.053 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 46.2 mt-30 -122.47 137.37 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 1.25 109.976 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.34 81.36 37.95 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.863 -0.792 . . . . 1.37 108.863 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -82.17 138.5 10.1 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.392 2.728 . . . . 0.74 112.007 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 p -75.05 169.55 17.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 1.04 110.258 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -47.68 -49.14 28.56 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.267 0.354 . . . . 2.18 111.891 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.55 94.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 111.828 0.307 . . . . 0.63 111.828 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.24 -39.25 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.377 -0.601 . . . . 1.57 109.377 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 52' ' ' ILE . 72.1 mt -66.78 -25.33 66.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.92 -0.582 . . . . 0.64 110.825 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.47 -37.71 19.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.334 -0.617 . . . . 1.26 109.334 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 23.8 t70 -55.52 -37.96 68.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.267 -0.879 . . . . 1.38 109.197 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.85 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.533 -0.758 . . . . 1.38 109.741 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 48' ' ' LEU . 14.1 mm -64.55 -38.93 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.48 110.069 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.42 -30.02 66.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.791 -0.641 . . . . 1.4 110.62 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.571 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 6.4 mm-40 -63.25 -27.25 69.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 2.84 111.871 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.653 HG13 ' SD ' ' B' ' 1' ' ' MET . 1.8 m -119.84 23.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.962 0.41 . . . . 0.82 110.693 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.54 113.91 19.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.55 110.155 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.39 -6.92 8.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.007 -0.542 . . . . 0.68 110.547 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -81.45 -19.5 42.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.332 -0.618 . . . . 0.74 109.332 178.657 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 19.44 48.73 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.626 -0.716 . . . . 0.9 114.209 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.512 HD22 ' HB ' ' A' ' 62' ' ' THR . 0.0 OUTLIER -100.95 -18.63 16.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.301 0.55 . . . . 0.6 110.971 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.06 51.57 10.1 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.737 -0.744 . . . . 0.52 112.354 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.512 ' HB ' HD22 ' A' ' 60' ' ' ASN . 90.4 m -164.53 135.16 4.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.603 0.361 . . . . 0.57 110.144 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.564 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 13.1 mt -74.0 101.32 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.4 -0.963 . . . . 0.46 108.4 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.71 179.32 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.512 -0.313 . . . . 0.52 111.255 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -69.59 -48.34 24.06 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.244 0.461 . . . . 1.15 112.244 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.26 -51.64 9.15 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.026 1.817 . . . . 0.63 112.066 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.43 -31.21 68.31 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.116 -0.493 . . . . 0.51 111.059 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' MET . 60.9 t80 -62.17 -37.44 85.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.074 -0.512 . . . . 1.44 110.371 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.38 -53.03 55.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.633 -0.712 . . . . 0.89 110.94 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -37.96 75.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.74 111.201 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.788 ' HG2' HD13 ' B' ' 4' ' ' LEU . 7.7 ttp -62.86 -42.29 99.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.71 110.392 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG2' HG21 ' B' ' 7' ' ' VAL . 3.4 tmm? -70.97 -42.96 69.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.992 -0.549 . . . . 1.69 110.726 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.04 69.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.369 0.604 . . . . 0.63 110.576 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 mtm180 -78.87 1.15 24.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.117 -0.947 . . . . 1.45 111.583 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.68 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -128.26 -20.23 3.76 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.859 -0.337 . . . . 0.86 111.619 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.491 ' SD ' ' HG3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -60.97 -47.51 86.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.059 0.457 . . . . 1.68 111.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HG3' ' SD ' ' A' ' 76' ' ' MET . 40.7 mtmt -127.29 30.68 5.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.446 -0.576 . . . . 1.95 109.446 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.665 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 t0 -62.43 126.75 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.799 -0.637 . . . . 1.41 111.692 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 22.87 0.76 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.718 -1.128 . . . . 1.45 108.942 177.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -145.65 34.5 1.04 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.507 -0.769 . . . . 1.78 111.153 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -89.41 172.72 8.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.847 1.055 . . . . 1.1 113.847 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -136.38 -51.43 0.7 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.682 -1.145 . . . . 1.86 109.634 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -91.35 -30.01 16.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.875 -0.602 . . . . 2.7 111.62 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -54.82 -37.68 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 1.27 111.757 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.539 HG21 HG22 ' A' ' 142' ' ' VAL . 12.5 mt -57.37 -45.33 85.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.194 0.521 . . . . 1.5 111.095 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.62 -42.6 91.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.97 -0.559 . . . . 2.57 109.986 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' B' ' 1' ' ' MET . 0.5 OUTLIER -46.25 -64.79 0.67 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.073 0.858 . . . . 1.47 112.002 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -24.52 66.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 111.793 0.294 . . . . 0.41 111.793 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -70.74 -42.83 70.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.53 -0.468 . . . . 0.75 110.166 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -74.53 -18.86 60.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.552 -0.749 . . . . 2.35 111.369 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.813 HG21 ' SG ' ' B' ' 5' ' ' CYS . 72.0 t -77.39 -33.53 19.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.409 -0.589 . . . . 0.47 109.409 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -88.37 -42.75 11.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.47 111.027 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.9 100.58 11.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.953 -0.567 . . . . 0.8 110.185 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -86.82 -29.15 22.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.046 -0.524 . . . . 1.7 112.055 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -75.01 -21.45 59.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.324 -0.55 . . . . 0.67 111.007 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.95 16.17 77.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.981 -0.628 . . . . 0.72 111.923 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -13.9 48.73 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.624 0.25 . . . . 0.72 110.549 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 37.27 18.29 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.661 -0.781 . . . . 0.58 113.352 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -149.96 109.69 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.554 0.342 . . . . 1.57 110.112 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ILE . . . . . 0.66 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 46.6 mt -80.19 135.49 25.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.444 0.164 . . . . 0.69 111.161 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 103' ' ' ALA . 75.1 p -144.48 177.73 8.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.04 -0.356 . . . . 1.14 110.04 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.01 3.59 5.21 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.257 1.027 . . . . 1.3 110.341 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.09 -72.09 0.42 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.242 -1.799 . . . . 0.93 108.37 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.1 mt-10 -72.27 -35.51 68.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.043 -0.98 . . . . 0.83 112.161 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.528 HD23 HG13 ' A' ' 121' ' ' VAL . 24.1 tp -61.69 -37.35 83.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.897 0.379 . . . . 0.63 111.665 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 106' ' ' ARG . 28.5 ttm180 -63.63 -36.77 84.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.445 . . . . 1.18 110.183 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -69.06 -42.62 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.83 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 104' ' ' GLU . 19.7 t -71.21 -44.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.427 0.528 . . . . 0.53 112.427 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.12 86.67 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.901 0.382 . . . . 0.86 111.217 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 m -72.19 -23.55 61.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 0.67 110.237 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -78.07 -44.69 25.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.88 110.435 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . 0.431 ' O ' HD22 ' A' ' 18' ' ' LEU . 59.7 mt -63.72 -33.46 75.7 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.989 -0.551 . . . . 0.93 110.431 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.33 35.06 7.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.604 -0.808 . . . . 0.89 111.554 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 166.36 14.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 1.61 110.656 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 78.33 6.9 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.354 -0.61 . . . . 1.18 109.354 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.412 ' HG ' ' CB ' ' A' ' 120' ' ' GLU . 4.2 tp -150.63 117.33 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 1.27 109.968 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.91 -175.88 4.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.228 -0.286 . . . . 1.04 110.228 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.69 -44.06 97.0 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.727 0.299 . . . . 1.38 111.596 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -32.01 73.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 2.33 110.497 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.412 ' CB ' ' HG ' ' A' ' 116' ' ' LEU . 30.9 mm-40 -72.43 -41.34 66.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.362 -0.835 . . . . 1.86 109.647 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 HD23 ' A' ' 105' ' ' LEU . 24.5 t -58.94 -41.9 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.39 -0.823 . . . . 0.76 110.439 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.97 -42.16 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.359 . . . . 0.96 110.198 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.52 -46.34 86.97 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.198 0.523 . . . . 1.2 110.15 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.754 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 19.6 ttt -70.8 -34.88 72.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.267 -0.879 . . . . 0.76 110.417 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 -31.54 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.92 111.161 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.1 mtm105 -86.77 16.03 5.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.075 0.398 . . . . 0.94 112.075 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.596 ' OE1' ' HG3' ' A' ' 124' ' ' MET . 11.1 pt-20 -76.58 -48.05 20.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.367 -0.533 . . . . 2.04 110.388 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 127' ' ' GLU . . . -101.89 0.01 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.181 0.515 . . . . 0.96 110.5 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.2 91.87 2.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.87 109.929 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.5 mm -78.47 -34.88 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.545 -0.752 . . . . 1.01 111.745 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -81.37 -36.31 29.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.146 -0.479 . . . . 1.02 111.127 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.1 6.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.96 -0.638 . . . . 0.94 111.806 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -95.96 -14.09 23.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.95 110.61 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.77 12.02 61.18 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.846 -0.616 . . . . 0.84 112.339 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.66 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 65.8 mt-30 -134.65 116.66 15.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.81 -0.195 . . . . 1.26 110.933 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.29 112.52 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.003 -0.739 . . . . 0.69 109.003 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -90.25 -179.17 5.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.97 110.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.401 ' O ' HG23 ' A' ' 142' ' ' VAL . 4.1 t80 -59.89 -51.92 67.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.568 0.581 . . . . 1.35 112.568 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.69 -38.66 78.74 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.954 0.407 . . . . 2.6 110.817 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 144' ' ' MET . 49.8 mt-10 -64.43 -41.87 96.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.974 -0.557 . . . . 0.66 110.593 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.504 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 25.7 t80 -73.26 -38.71 65.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.441 . . . . 0.88 111.514 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 85' ' ' ILE . 71.7 t -64.81 -48.42 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.095 0.474 . . . . 0.7 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -73.19 -6.02 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.5 111.899 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.599 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 3.1 tmm? -107.18 -36.66 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.5 0.556 . . . . 0.89 112.5 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 ttp -104.47 -29.34 10.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.793 -0.567 . . . . 1.47 111.972 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -97.46 -1.21 44.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.582 0.706 . . . . 1.07 110.744 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 1.33 110.608 -179.8 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.653 ' SD ' HG13 ' A' ' 55' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.428 0.632 . . . . 2.55 109.924 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -63.19 1.19 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.605 -1.179 . . . . 1.88 112.11 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.71 ' SG ' HD21 ' A' ' 32' ' ' LEU . 83.3 m -55.86 -29.09 59.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.737 -0.665 . . . . 0.64 112.691 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.788 HD13 ' HG2' ' A' ' 71' ' ' MET . 6.8 tp -82.15 -38.33 24.86 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.861 -0.524 . . . . 1.25 109.74 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.813 ' SG ' HG21 ' A' ' 91' ' ' VAL . 2.4 p -65.2 -27.99 69.07 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.067 -1.086 . . . . 0.61 108.067 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.715 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -64.17 -43.73 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 107.339 -1.356 . . . . 0.62 107.339 176.595 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 3' ' ' CYS . 20.3 t -64.17 -40.36 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.66 -0.7 . . . . 0.57 109.419 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -64.61 -42.16 95.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.013 0.435 . . . . 0.63 110.04 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 57.8 m -62.19 -36.24 81.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.83 110.032 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' B' ' 14' ' ' TYR . 0.1 OUTLIER -76.95 -30.34 55.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 2.03 110.427 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -74.05 -40.22 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.915 -0.772 . . . . 1.32 108.915 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 93.1 t80 -66.9 -45.54 77.66 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.732 -0.84 . . . . 1.21 108.732 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.754 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 2.3 ttp85 -65.56 -23.3 66.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.089 -0.505 . . . . 3.1 110.552 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 11.7 t80 -81.88 -22.22 37.0 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.568 -0.531 . . . . 1.47 109.568 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.71 -36.83 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.545 -0.909 . . . . 1.41 108.545 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.28 -42.38 73.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.66 -0.7 . . . . 2.65 109.917 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -88.52 80.18 7.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.339 -0.846 . . . . 4.01 108.866 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -152.69 -28.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.828 -1.078 . . . . 3.44 110.027 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.141 -0.936 . . . . 4.48 110.097 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.756 ' HB ' ' OE1' ' A' ' 7' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 120.938 0.399 . . . . 1.25 111.915 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.99 -43.94 90.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.417 0.895 . . . . 1.97 113.417 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.756 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.92 -36.93 82.83 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.18 -0.608 . . . . 1.98 109.63 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLN . . . . . 0.412 ' HG3' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -63.47 -48.38 77.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.471 -0.566 . . . . 1.62 109.471 177.385 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mm -51.38 -43.5 30.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.291 0.567 . . . . 1.13 109.588 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.49 90.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.169 -0.923 . . . . 0.74 110.478 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -66.22 -53.38 37.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.223 -0.444 . . . . 1.57 110.51 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -59.94 -28.85 67.98 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.315 -0.402 . . . . 1.85 111.214 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -58.27 -38.13 76.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.268 -0.641 . . . . 1.5 109.268 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.21 -34.13 72.54 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.64 110.198 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' B' ' 6' ' ' ILE . . . -62.94 -44.69 95.38 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.818 -0.808 . . . . 0.51 108.818 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -59.46 -38.03 79.72 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.231 -0.655 . . . . 1.23 109.231 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.2 m -67.89 -22.07 65.11 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.481 -0.782 . . . . 0.77 111.78 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -96.64 -36.23 10.78 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.606 -0.837 . . . . 1.43 110.737 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.738 ' CZ ' ' HA ' ' B' ' 3' ' ' CYS . 11.4 m-85 -68.68 -45.83 70.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.067 0.46 . . . . 0.56 110.326 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.98 133.6 36.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.591 . . . . 0.54 110.44 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -129.21 -5.79 4.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.036 -0.529 . . . . 0.73 111.525 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -100.06 -18.63 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.57 111.599 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.63 67.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.82 -0.705 . . . . 0.59 112.59 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.85 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.951 -0.389 . . . . 0.58 109.951 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.73 -3.5 78.16 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.022 -0.609 . . . . 0.74 113.932 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.4 152.16 30.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.888 0.344 . . . . 0.47 110.388 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.734 HG21 HG13 ' A' ' 63' ' ' ILE . 1.3 mp -83.59 121.27 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.41 111.527 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -103.42 173.72 6.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.392 -0.595 . . . . 0.41 109.392 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.86 -31.55 56.9 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.429 0.633 . . . . 0.6 109.472 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -29.78 56.31 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.371 -0.831 . . . . 2.22 111.947 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 23.6 mt-10 -71.72 -57.69 4.14 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 121.555 -0.716 . . . . 0.42 110.329 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.814 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.4 mp -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.5 110.566 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.72 -36.04 77.12 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.168 -0.539 . . . . 0.5 112.522 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.6 111.155 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 t -66.95 -44.09 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.352 . . . . 0.63 110.065 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mtm -63.69 -18.83 64.4 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.491 0.662 . . . . 1.07 110.743 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.53 -42.17 14.65 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.576 -0.738 . . . . 1.82 110.127 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -72.46 -8.61 55.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.8 111.393 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -87.34 -3.55 59.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.86 109.984 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.78 31.55 9.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.929 -0.653 . . . . 0.89 112.852 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -133.33 153.91 51.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.767 0.317 . . . . 1.25 110.195 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -124.95 92.19 48.06 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.289 -0.414 . . . . 1.37 110.469 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -91.36 132.04 1.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.297 2.665 . . . . 0.74 111.193 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 p -89.7 -176.2 4.9 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.96 -0.296 . . . . 1.04 110.695 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.27 -44.94 16.93 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.684 0.794 . . . . 2.18 113.135 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -38.23 79.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.952 0.353 . . . . 0.63 111.952 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -71.29 -41.34 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.912 -0.403 . . . . 1.57 109.912 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.44 ' O ' HG12 ' A' ' 52' ' ' ILE . 31.8 mt -63.06 -25.47 68.39 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.64 111.912 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -89.68 -38.92 13.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.723 -0.473 . . . . 1.26 109.723 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -42.47 79.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.125 -0.943 . . . . 1.38 109.451 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt -58.09 -47.25 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.376 -0.829 . . . . 1.38 110.933 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 48' ' ' LEU . 30.3 mm -69.7 -40.26 79.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.458 -0.792 . . . . 0.48 110.866 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -57.52 -32.13 66.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.559 -0.291 . . . . 1.4 111.437 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.37 -18.58 64.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.598 -0.274 . . . . 2.84 111.538 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.3 -34.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.271 0.557 . . . . 0.82 110.305 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 3.0 t70 -67.13 126.09 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.308 -0.86 . . . . 0.55 111.108 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.34 -20.49 5.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.696 -0.684 . . . . 0.68 110.4 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -16.4 55.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.812 -0.631 . . . . 0.74 111.284 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.36 53.67 4.04 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.751 -0.738 . . . . 0.9 112.285 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -27.7 2.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.748 0.309 . . . . 0.6 110.323 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.437 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 82.23 52.25 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.52 112.734 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 27' ' ' ILE . 41.5 m -163.84 134.34 4.36 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 122.312 0.245 . . . . 0.57 110.696 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.734 HG13 HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.43 84.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 108.841 -0.8 . . . . 0.46 108.841 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.3 p30 -83.55 176.08 9.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52 110.134 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.49 -51.19 53.1 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.592 0.59 . . . . 1.15 112.592 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -50.03 -47.48 23.52 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.916 1.744 . . . . 0.63 112.225 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -72.74 -30.94 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.561 -0.29 . . . . 0.51 110.65 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 72' ' ' MET . 33.9 t80 -61.16 -38.55 86.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.406 -0.59 . . . . 1.44 109.406 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.33 -54.89 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.89 110.263 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -56.77 -51.33 69.32 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.015 -0.539 . . . . 0.74 111.047 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.761 ' CG ' HD22 ' B' ' 4' ' ' LEU . 1.6 ttp -60.27 -39.88 88.41 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.387 1.054 . . . . 0.71 110.41 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 10.4 ttm -64.03 -46.04 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 1.69 110.678 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.16 -29.72 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.12 0.486 . . . . 0.63 110.801 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.59 -19.64 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.802 -0.636 . . . . 1.45 110.936 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' B' ' 4' ' ' LEU . 0.1 OUTLIER -114.91 -14.49 11.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.655 0.264 . . . . 0.86 111.276 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.5 ttm -55.13 -47.67 74.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.34 -0.615 . . . . 1.68 109.34 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -123.44 56.73 1.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.337 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.61 105.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.618 . . . . 1.41 110.825 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.7 p -131.5 5.54 4.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.097 -0.956 . . . . 1.45 109.039 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.0 43.06 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.161 -1.381 . . . . 1.78 108.114 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB3' ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -62.15 80.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.212 -1.358 . . . . 1.1 114.354 -178.052 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -96.7 -73.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 1.86 108.921 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.71 -22.01 18.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.544 -0.91 . . . . 2.7 108.544 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -57.84 -51.15 70.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.642 -1.163 . . . . 1.27 111.309 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 1.3 tp -64.14 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 1.5 110.658 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -70.77 -43.95 67.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.007 -0.542 . . . . 2.57 109.791 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -54.04 -55.52 26.6 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.47 111.981 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.3 -24.52 65.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.542 0.21 . . . . 0.41 111.392 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.6 t80 -72.51 -32.89 66.52 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.208 -0.664 . . . . 0.75 109.208 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -83.1 -29.21 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 2.35 111.966 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.6 HG21 ' SG ' ' B' ' 5' ' ' CYS . 78.1 t -72.81 -30.67 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.47 110.146 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.43 ' HZ ' HG23 ' B' ' 9' ' ' THR . 13.1 m-85 -88.6 -40.09 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.47 110.682 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.43 94.32 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.43 -0.581 . . . . 0.8 109.43 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -87.4 -20.07 27.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 1.7 111.671 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -80.36 -18.84 47.9 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.198 -0.601 . . . . 0.67 110.763 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.22 61.82 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.983 -0.627 . . . . 0.72 112.374 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -97.78 -20.34 17.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.43 0.157 . . . . 0.72 111.321 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.28 60.72 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.623 -0.798 . . . . 0.58 113.592 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' HB2' HD21 ' A' ' 97' ' ' ASN . 39.3 m-85 -126.81 111.19 13.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 122.348 -0.501 . . . . 1.57 111.182 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.92 146.29 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.629 -0.714 . . . . 0.69 110.499 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 103' ' ' ALA . 97.5 p -159.01 -174.03 4.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.809 -0.178 . . . . 1.14 110.538 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.77 4.36 1.15 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.942 0.877 . . . . 1.3 110.916 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -79.55 -74.28 0.3 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.053 -1.431 . . . . 0.93 109.917 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -30.55 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 0.83 112.413 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' LEU . . . . . 0.41 HD23 HG12 ' A' ' 125' ' ' ILE . 46.1 tp -61.05 -34.4 74.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.63 110.619 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -65.63 -38.83 90.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 1.18 109.854 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.47 -54.89 21.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.967 -0.56 . . . . 0.83 111.449 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.95 -40.9 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.872 0.323 . . . . 0.53 111.872 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.29 88.9 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.038 0.446 . . . . 0.86 110.783 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.6 m -77.65 -32.21 53.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.523 -0.762 . . . . 0.67 110.551 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -70.14 -39.87 75.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.577 -0.738 . . . . 0.88 110.485 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.08 -33.16 75.13 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.364 0.602 . . . . 0.93 109.693 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.97 38.06 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.247 -0.888 . . . . 0.89 112.993 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.6 170.85 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.174 0.487 . . . . 1.61 110.184 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -87.75 12.68 12.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 1.18 111.121 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.28 111.89 19.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.24 0.543 . . . . 1.27 110.907 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -176.51 5.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.688 -0.687 . . . . 1.04 110.134 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -54.85 -52.33 63.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.601 0.593 . . . . 1.38 112.601 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.15 -29.77 69.57 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.143 -0.223 . . . . 2.33 110.717 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.8 -32.95 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.86 109.848 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -68.45 -40.96 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.603 -0.726 . . . . 0.76 109.566 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.88 -38.2 73.05 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.96 110.051 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 4.1 tp10 -63.17 -50.92 68.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.143 -0.48 . . . . 1.2 110.959 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.689 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.2 ttt -65.84 -36.61 83.94 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.501 -0.318 . . . . 0.76 110.723 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.41 HG12 HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.72 -27.13 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.815 0.672 . . . . 0.92 112.815 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.446 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 14.3 mtm105 -88.2 18.29 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.385 0.883 . . . . 0.94 113.385 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -40.5 17.82 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.489 -0.56 . . . . 2.04 109.489 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.98 -12.8 22.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.49 -0.777 . . . . 0.96 111.181 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.6 105.01 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 0.87 110.574 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.3 mm -109.28 -1.82 9.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 1.01 110.481 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -103.78 -28.36 11.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.402 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.87 48.42 3.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.622 -0.799 . . . . 0.94 112.645 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -126.8 -12.56 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.653 0.263 . . . . 0.95 111.384 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.03 13.76 82.67 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.997 -0.621 . . . . 0.84 113.036 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 52.4 mt-30 -129.34 113.52 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.712 -0.477 . . . . 1.26 109.712 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 83.3 t -81.39 106.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.175 -0.466 . . . . 0.69 110.433 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -85.1 179.73 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.97 -0.292 . . . . 0.97 110.873 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -53.14 -55.41 24.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.838 -0.619 . . . . 1.35 111.482 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -52.99 -47.54 68.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 2.6 111.754 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 144' ' ' MET . 48.0 mt-10 -64.39 -38.3 90.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.955 -0.566 . . . . 0.66 111.306 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 5.2 t80 -71.72 -42.27 67.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 0.88 110.528 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 138' ' ' TYR . 99.5 t -66.88 -48.83 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.381 -0.372 . . . . 0.7 111.563 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -65.99 -4.8 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.885 0.374 . . . . 1.5 111.456 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -110.92 -38.4 5.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.89 111.529 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.658 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -80.54 -48.23 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.621 -0.263 . . . . 1.47 111.208 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -74.13 -32.24 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.07 111.149 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 1.33 110.756 179.709 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.402 0.62 . . . . 2.55 109.491 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -57.1 8.11 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.686 -1.143 . . . . 1.88 111.777 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.814 ' SG ' HD21 ' A' ' 32' ' ' LEU . 65.5 m -60.31 -33.04 71.82 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.569 . . . . 0.64 111.43 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.761 HD22 ' CG ' ' A' ' 71' ' ' MET . 2.1 tp -77.02 -39.34 50.55 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.797 -0.183 . . . . 1.25 110.722 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.6 ' SG ' HG21 ' A' ' 91' ' ' VAL . 16.0 p -66.13 -23.66 66.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.734 -0.839 . . . . 0.61 108.734 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.722 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -69.01 -42.62 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.185 -1.413 . . . . 0.62 107.185 176.097 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 3' ' ' CYS . 14.5 t -61.71 -40.36 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.791 -0.64 . . . . 0.57 109.645 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.658 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.9 OUTLIER -67.57 -45.77 74.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.63 110.003 178.273 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.43 HG23 ' HZ ' ' A' ' 92' ' ' PHE . 90.8 m -60.63 -37.03 80.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.322 -0.622 . . . . 0.83 109.322 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -67.4 -39.18 85.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.696 -0.684 . . . . 2.03 110.464 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -69.71 -43.3 72.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 1.32 109.847 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.0 t80 -64.66 -41.11 96.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.787 -0.642 . . . . 1.21 109.596 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.689 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -70.79 -25.22 62.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.864 . . . . 3.1 110.793 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -80.87 -25.19 37.83 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.278 -0.638 . . . . 1.47 109.278 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -18.11 62.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.54 -0.755 . . . . 1.41 109.704 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -26.96 68.41 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.73 -0.841 . . . . 2.65 108.73 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.5 76.44 5.0 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.713 -1.13 . . . . 4.01 109.492 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -144.55 -67.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.351 0.5 . . . . 3.44 112.351 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.867 0 CA-C-O 119.033 -0.508 . . . . 4.48 112.175 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 110.178 -0.304 . . . . 1.25 110.178 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.83 -37.64 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 1.97 111.321 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 2.2 mp0 -57.06 -50.77 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 1.98 110.176 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.78 -48.04 80.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.549 -0.75 . . . . 1.62 110.304 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 mm -50.19 -44.74 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 120.938 0.399 . . . . 1.13 110.308 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.692 -0.685 . . . . 0.74 110.835 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 50.2 mt-10 -66.26 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.517 -0.31 . . . . 1.57 110.628 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.19 -30.55 69.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.799 0.333 . . . . 1.85 110.58 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 20.0 ttpt -57.75 -38.67 75.78 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.245 -0.65 . . . . 1.5 109.245 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' OE2' ' HA ' ' A' ' 11' ' ' GLU . 30.1 mt-10 -69.17 -38.8 78.89 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.443 -0.799 . . . . 1.64 109.202 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.29 86.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.623 -0.717 . . . . 0.51 109.611 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -57.51 -42.9 83.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.206 -0.452 . . . . 1.23 110.274 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 m -65.99 -14.31 61.4 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.326 0.584 . . . . 0.77 110.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -94.03 -53.8 3.84 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.548 -0.751 . . . . 1.43 110.803 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.757 ' CE2' HD12 ' B' ' 6' ' ' ILE . 33.1 m-85 -64.01 -41.58 97.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.906 0.384 . . . . 0.56 111.181 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.92 133.38 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.94 -0.573 . . . . 0.54 110.783 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -129.91 19.1 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.73 111.154 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -126.6 -23.99 3.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.865 -0.334 . . . . 0.57 111.786 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.05 3.95 57.79 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.984 -0.627 . . . . 0.59 113.174 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -80.49 -38.55 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.769 -0.254 . . . . 0.58 110.873 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.71 -23.76 23.35 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.674 -0.774 . . . . 0.74 113.551 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.405 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 2.0 m -89.55 138.54 31.37 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.038 0.447 . . . . 0.47 110.708 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.509 HG21 HD12 ' A' ' 63' ' ' ILE . 1.1 mp -76.82 124.77 35.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.41 110.924 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -112.56 -178.91 3.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.895 -0.78 . . . . 0.41 108.895 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 -31.73 21.56 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.018 0.437 . . . . 0.6 111.179 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -75.19 -19.22 59.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 2.22 111.095 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -82.83 -53.89 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.457 0.473 . . . . 0.42 110.329 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.732 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -63.73 -31.92 73.25 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.433 0.458 . . . . 0.5 111.044 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.77 -31.23 71.04 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 121.0 -0.619 . . . . 0.5 112.618 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -61.67 -42.54 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.63 0.252 . . . . 0.6 110.939 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 39.6 t -61.49 -46.58 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 O-C-N 122.262 -0.273 . . . . 0.63 111.251 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.579 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 32.0 ttm -65.06 -15.34 62.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.147 0.499 . . . . 1.07 110.702 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 34' ' ' THR . 13.1 ttp180 -77.2 -44.08 31.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.58 -0.737 . . . . 1.82 109.221 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.06 -13.87 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.64 -0.709 . . . . 0.8 111.242 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -85.14 4.36 34.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 0.86 110.444 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.49 24.42 67.97 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.89 112.319 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -124.88 168.0 13.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.154 -0.684 . . . . 1.25 109.154 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -158.34 94.09 1.97 Allowed Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.65 -0.42 . . . . 1.37 112.068 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 60.0 Cg_endo -84.5 149.8 11.57 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.562 2.175 . . . . 0.74 112.361 177.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.2 p -90.34 179.06 5.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.885 -0.598 . . . . 1.04 109.65 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -45.88 -59.26 2.92 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.044 0.387 . . . . 2.18 112.044 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.87 57.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.543 0.572 . . . . 0.63 112.543 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.34 -41.62 39.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.256 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.21 -34.68 75.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.64 111.134 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -33.7 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.36 -0.608 . . . . 1.26 109.36 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -55.67 -42.58 75.29 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.082 -0.963 . . . . 1.38 109.782 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.5 -39.83 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.101 -0.954 . . . . 1.38 110.078 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.18 -40.77 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.48 111.105 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -26.94 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.523 0.515 . . . . 1.4 111.639 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.99 -21.11 64.17 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.898 0.38 . . . . 2.84 110.704 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.38 -43.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.104 0.478 . . . . 0.82 110.551 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 7.3 t70 -67.34 122.16 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.55 111.603 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.87 -11.13 8.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.845 0.355 . . . . 0.68 110.609 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.578 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.07 -27.0 35.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.665 -0.414 . . . . 0.74 110.161 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 21.89 17.86 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.829 -0.7 . . . . 0.9 112.719 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.578 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -98.37 -28.95 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.001 0.429 . . . . 0.6 110.818 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 83.66 45.19 6.52 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.653 -0.784 . . . . 0.52 112.534 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.427 ' HB ' HD22 ' A' ' 60' ' ' ASN . 99.4 m -158.31 128.3 5.98 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.851 -0.205 . . . . 0.57 110.601 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 27' ' ' ILE . 10.9 mt -67.52 96.52 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.602 -0.888 . . . . 0.46 108.602 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.8 p30 -100.78 -178.61 3.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.52 112.018 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.38 -50.15 29.09 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.174 -0.466 . . . . 1.15 111.773 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.72 -49.32 17.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.608 1.538 . . . . 0.63 111.837 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.93 -31.54 72.2 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.261 -0.427 . . . . 0.51 110.867 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.9 t80 -65.38 -37.04 85.81 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.541 0.526 . . . . 1.44 110.231 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.22 -56.88 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.542 . . . . 0.89 110.382 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -64.93 -37.09 86.48 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.841 -0.618 . . . . 0.74 111.172 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.728 ' HG2' HD13 ' B' ' 4' ' ' LEU . 7.4 ttp -64.54 -45.37 87.44 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.71 110.707 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ttm -65.33 -39.51 92.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.422 -0.354 . . . . 1.69 110.89 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.71 85.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.655 -0.248 . . . . 0.63 111.018 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . 0.497 ' HD3' ' OE2' ' A' ' 84' ' ' GLU . 3.3 ttm180 -62.17 -37.09 83.91 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.282 -0.417 . . . . 1.45 110.464 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.539 ' CE ' ' HG ' ' B' ' 4' ' ' LEU . 2.8 tppt? -90.16 -10.09 45.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.414 -0.514 . . . . 0.86 111.018 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' MET . . . . . 0.559 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 25.0 ttm -66.76 -48.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.971 0.415 . . . . 1.68 110.208 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 43.8 mtmt -136.32 57.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 1.95 111.492 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.59 136.62 45.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.243 -0.28 . . . . 1.41 110.243 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 p -137.17 20.13 2.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.643 0.735 . . . . 1.45 110.356 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.55 -46.76 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.97 -1.014 . . . . 1.78 108.695 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m 55.33 53.01 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.733 1.382 . . . . 1.1 114.733 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . 4.9 tp10 -83.83 -76.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.035 -0.728 . . . . 1.86 109.035 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 82' ' ' GLU . 3.1 pm0 -90.79 -15.35 30.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.7 110.621 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' OE2' ' HD3' ' A' ' 74' ' ' ARG . 15.2 mm-40 -57.46 -60.47 3.6 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.809 -0.632 . . . . 1.27 111.958 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 24.6 mt -64.52 -31.27 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.381 -0.827 . . . . 1.5 110.974 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -65.33 -51.46 60.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 2.57 110.776 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -50.34 70.99 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.975 -0.557 . . . . 1.47 112.456 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.05 64.57 Favored 'General case' 0 N--CA 1.457 -0.099 0 O-C-N 121.871 -0.518 . . . . 0.41 111.36 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.059 -0.719 . . . . 0.75 109.059 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.22 -23.51 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 2.35 111.671 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.689 HG11 ' SG ' ' B' ' 5' ' ' CYS . 63.0 t -80.48 -40.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 0.47 110.228 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -79.72 -42.47 24.57 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.54 -0.3 . . . . 0.47 110.791 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.63 85.61 6.0 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.8 110.999 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -64.69 -26.62 68.46 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.183 -0.917 . . . . 1.7 111.714 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -85.54 -24.73 27.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.33 -0.548 . . . . 0.67 110.973 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.16 25.54 66.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.879 -0.677 . . . . 0.72 112.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.59 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -86.92 -23.62 25.1 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.591 -0.359 . . . . 0.72 111.317 -179.726 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.74 8.46 37.12 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.732 -0.747 . . . . 0.58 113.099 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HB2' HD21 ' A' ' 97' ' ' ASN . 20.4 m-85 -131.16 106.88 8.63 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 122.754 -0.263 . . . . 1.57 110.618 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.1 mt -86.1 139.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.69 110.411 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 103' ' ' ALA . 25.8 p -150.33 -175.84 5.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.15 -0.315 . . . . 1.14 110.15 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.04 -0.85 3.49 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.177 0.989 . . . . 1.3 110.075 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.25 -76.02 0.11 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.534 -1.666 . . . . 0.93 109.005 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.05 -31.71 50.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.6 0.963 . . . . 0.83 113.6 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.31 -37.69 81.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.026 0.441 . . . . 0.63 111.248 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 106' ' ' ARG . 27.7 ttm180 -59.54 -36.49 76.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.699 -0.682 . . . . 1.18 110.697 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -68.48 -47.59 66.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.83 110.945 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.79 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.23 0.331 . . . . 0.53 110.589 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -38.26 71.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.094 0.473 . . . . 0.86 111.026 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -80.43 -28.82 37.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.696 0.76 . . . . 0.67 110.785 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -43.54 68.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.238 -0.892 . . . . 0.88 111.048 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -69.99 -33.33 71.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.93 110.147 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.11 46.05 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.815 -0.707 . . . . 0.89 112.605 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.15 -178.98 7.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.164 0.507 . . . . 1.61 110.324 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -96.44 34.9 1.55 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.366 -0.833 . . . . 1.18 110.838 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.38 120.58 37.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.996 0.427 . . . . 1.27 111.615 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 p -89.18 -170.54 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.749 -0.659 . . . . 1.04 110.168 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -56.95 13.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.31 0.485 . . . . 1.38 112.31 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.49 -26.37 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 2.33 111.274 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -75.7 -47.33 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.216 -0.447 . . . . 1.86 110.496 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.42 -43.94 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.454 0.645 . . . . 0.76 109.317 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -63.08 -45.4 92.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.931 -1.031 . . . . 0.96 110.544 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.555 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.8 tp10 -63.53 -44.56 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 1.2 111.053 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.786 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -62.9 -45.7 91.26 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.996 -0.547 . . . . 0.76 111.527 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -48.87 -25.99 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.596 0.962 . . . . 0.92 113.596 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 30.7 mtm105 -89.91 24.05 2.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.079 0.399 . . . . 0.94 112.079 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -92.19 -43.35 9.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.151 0.5 . . . . 2.04 109.88 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.645 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -103.4 -12.66 17.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.96 110.693 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -78.11 89.04 4.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.632 . . . . 0.87 110.699 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.8 mm -80.54 -27.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.794 -0.639 . . . . 1.01 112.419 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -84.26 -12.34 54.88 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.242 -0.286 . . . . 1.02 111.482 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.2 42.44 94.28 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.818 -0.706 . . . . 0.94 112.396 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.49 -15.1 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.516 -0.402 . . . . 0.95 111.203 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.83 -4.93 63.66 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.347 -0.93 . . . . 0.84 113.182 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -121.14 119.76 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.201 0.5 . . . . 1.26 111.296 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.2 t -86.53 107.41 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.126 -0.694 . . . . 0.69 109.126 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -87.18 178.88 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.434 -0.348 . . . . 0.97 110.654 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 142' ' ' VAL . 2.4 t80 -52.39 -47.29 66.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.35 112.328 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.11 -44.61 96.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 2.6 110.939 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.16 -32.22 73.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.837 -0.62 . . . . 0.66 111.592 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 30.0 t80 -77.96 -39.23 43.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.537 -0.301 . . . . 0.88 111.167 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 138' ' ' TYR . 90.6 t -60.76 -47.77 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.309 0.576 . . . . 0.7 110.968 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 75.5 mt-30 -67.13 -16.66 64.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.623 -0.717 . . . . 1.5 111.911 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.645 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -97.89 -39.56 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.428 0.529 . . . . 0.89 112.428 -178.762 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.586 ' SD ' HG23 ' B' ' 8' ' ' THR . 17.6 ttp -87.09 -48.81 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.085 -0.646 . . . . 1.47 112.043 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.827 0.346 . . . . 1.07 111.059 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.049 -0.523 . . . . 1.33 110.45 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.421 ' CE ' HD23 ' B' ' 4' ' ' LEU . 2.9 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 121.715 0.769 . . . . 2.55 109.663 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ASP . . . . . 0.431 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.08 -48.26 73.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.634 -1.166 . . . . 1.88 111.424 -179.564 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.732 ' SG ' HD21 ' A' ' 32' ' ' LEU . 59.6 m -63.5 -31.68 72.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.64 110.958 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.728 HD13 ' HG2' ' A' ' 71' ' ' MET . 4.7 tp -78.17 -33.23 50.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 1.25 109.967 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.689 ' SG ' HG11 ' A' ' 91' ' ' VAL . 1.6 p -67.13 -27.55 67.41 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.133 -1.062 . . . . 0.61 108.133 178.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.757 HD12 ' CE2' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -68.15 -39.89 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.65 -1.241 . . . . 0.62 107.65 176.712 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 3' ' ' CYS . 10.9 t -63.62 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 N-CA-C 108.562 -0.903 . . . . 0.57 108.562 177.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.586 HG23 ' SD ' ' A' ' 145' ' ' MET . 4.3 m -69.4 -41.43 76.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.834 -0.621 . . . . 0.63 110.07 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -62.02 -35.91 79.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.875 -0.602 . . . . 0.83 109.828 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 0.3 OUTLIER -72.01 -43.82 64.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.873 -0.603 . . . . 2.03 110.205 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 10.0 tmtt? -60.5 -40.82 92.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.451 0.643 . . . . 1.32 109.488 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.41 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 70.1 t80 -72.71 -31.6 65.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.229 -0.896 . . . . 1.21 110.07 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.786 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 16.5 ttp85 -87.07 -2.87 58.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.265 0.555 . . . . 3.1 110.705 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -102.78 -23.11 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.261 -0.882 . . . . 1.47 110.376 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' B' ' 18' ' ' ASP . 2.2 tp60 -79.19 -21.17 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.64 -1.164 . . . . 1.41 111.455 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -64.07 -24.72 67.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.051 0.453 . . . . 2.65 109.873 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -86.75 31.61 0.68 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.8 -0.636 . . . . 4.01 110.398 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' B' ' 15' ' ' GLN . 7.2 t70 -82.01 -53.83 5.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.83 0.678 . . . . 3.44 112.83 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.252 1.188 0 CA-C-O 119.131 -0.461 . . . . 4.48 111.26 -178.331 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 120.645 0.259 . . . . 1.25 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -56.4 -39.79 73.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 1.97 110.7 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 4.7 mp0 -57.53 -43.67 84.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.813 -0.63 . . . . 1.98 111.426 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.08 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.616 -0.513 . . . . 1.62 109.616 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.9 mm -54.56 -42.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.277 -0.42 . . . . 1.13 110.643 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -63.78 -38.36 90.82 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.241 -0.436 . . . . 0.74 110.177 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 60.2 mt-10 -64.5 -46.03 84.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 1.57 109.873 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.86 -26.45 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 1.85 110.621 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 5.9 ttpt -59.77 -41.74 91.75 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.291 -0.633 . . . . 1.5 109.291 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.0 -41.05 95.75 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.068 -0.716 . . . . 1.64 109.068 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.51 -48.68 78.49 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-N 115.646 -0.707 . . . . 0.51 110.47 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -54.18 -42.61 69.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.193 0.52 . . . . 1.23 109.786 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 m -65.77 -28.05 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.42 -0.809 . . . . 0.77 111.843 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp -88.07 -39.08 14.9 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.315 -0.554 . . . . 1.43 111.464 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.776 ' CE2' HD12 ' B' ' 6' ' ' ILE . 24.1 m-85 -69.72 -40.68 76.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.543 0.611 . . . . 0.56 110.409 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.24 139.16 37.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.575 -0.739 . . . . 0.54 110.754 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -138.32 26.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.73 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -130.41 -27.02 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.85 -0.34 . . . . 0.57 111.564 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.41 8.01 56.56 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.271 -0.966 . . . . 0.59 111.788 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -32.5 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.693 0.283 . . . . 0.58 110.464 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.03 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.71 -0.757 . . . . 0.74 113.631 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.75 152.58 24.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.034 0.417 . . . . 0.47 111.45 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.635 HG23 HD13 ' A' ' 32' ' ' LEU . 1.4 mp -91.33 122.35 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.41 110.903 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -103.18 175.54 5.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.097 -1.075 . . . . 0.41 108.097 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -29.57 31.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.343 0.592 . . . . 0.6 109.633 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.7 -28.65 61.84 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.396 -0.82 . . . . 2.22 111.93 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 28.9 mt-10 -71.86 -51.89 20.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.122 0.487 . . . . 0.42 110.661 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.811 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.5 mp -69.01 -26.68 65.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.655 -0.702 . . . . 0.5 111.251 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.58 -39.91 97.12 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.01 -0.614 . . . . 0.5 111.754 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -59.84 -42.48 93.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.596 -0.302 . . . . 0.6 110.886 179.351 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.0 -37.01 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.956 0.408 . . . . 0.63 110.144 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 ttm -67.03 -15.39 63.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.439 0.638 . . . . 1.07 110.245 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -85.14 -36.41 21.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.018 -0.992 . . . . 1.82 109.35 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.6 -18.86 65.64 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.723 -0.671 . . . . 0.8 110.242 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.535 ' O ' ' HE2' ' A' ' 94' ' ' LYS . 89.7 mt -78.78 -0.21 29.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.86 111.294 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.72 23.2 56.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.857 -0.687 . . . . 0.89 112.598 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -129.84 139.24 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.161 -0.311 . . . . 1.25 110.161 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -119.43 94.59 48.56 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-O 120.737 0.303 . . . . 1.37 111.377 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.45 149.45 7.65 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.305 2.67 . . . . 0.74 111.736 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 p -96.88 -179.56 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.255 -0.278 . . . . 1.04 110.96 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 5.3 mm-40 -51.03 -30.52 15.63 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.531 0.567 . . . . 2.18 112.531 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.99 -50.29 29.97 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.425 0.631 . . . . 0.63 110.33 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.76 -39.55 73.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.043 -0.98 . . . . 1.57 110.971 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.45 ' O ' HG12 ' A' ' 52' ' ' ILE . 42.0 mt -64.26 -33.46 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.381 0.512 . . . . 0.64 112.381 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -84.13 -28.73 27.26 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.628 -0.878 . . . . 1.26 108.628 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.78 -42.74 97.69 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.857 -1.065 . . . . 1.38 110.471 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 19.2 mmt -58.73 -42.15 88.08 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.808 -0.633 . . . . 1.38 109.938 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG23 HG13 ' A' ' 63' ' ' ILE . 27.7 mm -69.8 -37.47 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.364 -0.835 . . . . 0.48 110.694 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.61 -33.0 67.77 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.385 -0.371 . . . . 1.4 111.234 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.06 -33.98 76.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.233 0.54 . . . . 2.84 109.666 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -87.26 -39.84 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 0.82 110.564 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.39 137.6 56.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.202 -0.908 . . . . 0.55 112.498 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.16 -13.3 2.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.262 -0.881 . . . . 0.68 110.558 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.531 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -85.92 -21.5 27.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.74 110.424 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.06 29.05 13.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.99 -0.624 . . . . 0.9 112.759 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.531 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -104.43 -28.4 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.211 0.506 . . . . 0.6 111.28 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.19 43.39 7.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.493 -0.861 . . . . 0.52 112.297 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.462 ' HB ' HD21 ' A' ' 60' ' ' ASN . 90.1 m -157.24 129.21 7.16 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 122.351 0.26 . . . . 0.57 110.328 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 52' ' ' ILE . 11.3 mt -70.15 98.18 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 115.908 -0.587 . . . . 0.46 109.6 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.49 -178.71 3.74 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.968 -0.56 . . . . 0.52 111.645 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.4 t80 -68.71 -50.14 25.7 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.278 0.473 . . . . 1.15 112.278 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 72.4 Cg_exo -48.96 -50.9 11.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.822 1.681 . . . . 0.63 112.486 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -71.28 -25.7 62.56 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.684 -0.235 . . . . 0.51 111.21 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.96 -40.15 95.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 1.44 109.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.59 -53.08 59.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.89 110.09 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -44.44 93.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.74 111.293 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.736 ' HG2' HD13 ' B' ' 4' ' ' LEU . 5.5 ttp -60.54 -47.15 87.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.71 110.974 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -66.48 -46.41 76.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.974 -0.557 . . . . 1.69 110.952 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.95 64.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.82 0.343 . . . . 0.63 111.39 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -58.85 -37.74 77.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.526 -0.761 . . . . 1.45 111.204 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 tppt? -93.29 -28.66 16.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.658 0.266 . . . . 0.86 111.22 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ttm -51.04 -41.12 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 1.68 110.195 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.82 46.77 2.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.37 -0.832 . . . . 1.95 109.59 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 56.8 t0 -71.86 99.15 2.14 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.125 -0.943 . . . . 1.41 111.094 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.0 p -140.6 17.62 2.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.214 1.007 . . . . 1.45 108.523 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.26 30.11 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.996 -1.456 . . . . 1.78 108.111 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.449 ' HB3' HG13 ' A' ' 85' ' ' ILE . 2.5 m -36.71 104.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 113.576 -1.647 . . . . 1.1 114.307 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -98.24 -68.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 1.86 109.42 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -106.33 -12.97 15.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.352 -0.84 . . . . 2.7 109.812 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 81' ' ' SER . 2.9 mm-40 -52.2 -49.23 64.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.047 -0.979 . . . . 1.27 112.181 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.65 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 6.9 mt -56.91 -41.99 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 O-C-N 123.256 0.348 . . . . 1.5 110.978 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -52.39 42.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.28 0.363 . . . . 2.57 111.166 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -55.81 17.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.117 -0.492 . . . . 1.47 111.667 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.84 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.077 -0.39 . . . . 0.41 111.452 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -77.26 -37.16 53.62 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 120.937 -0.305 . . . . 0.75 110.679 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -71.98 -19.42 61.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 2.35 110.494 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.822 HG21 ' SG ' ' B' ' 5' ' ' CYS . 68.5 t -86.34 -36.55 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.877 -0.601 . . . . 0.47 110.182 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -82.91 -34.85 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.545 -0.298 . . . . 0.47 110.828 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.23 88.58 6.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.172 0.511 . . . . 0.8 109.935 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' A' ' 39' ' ' LEU . 27.8 tttm -75.88 -23.59 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.706 . . . . 1.7 111.25 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -88.38 -17.06 31.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.436 -0.347 . . . . 0.67 111.835 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.12 36.12 92.56 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.442 -0.885 . . . . 0.72 111.967 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 99' ' ' TYR . 9.7 p-10 -98.74 -8.95 25.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.862 0.363 . . . . 0.72 110.357 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 19.13 67.26 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.816 -0.629 . . . . 0.58 112.78 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 39.7 m-85 -138.13 113.41 9.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.782 0.325 . . . . 1.57 111.271 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -94.81 133.37 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.229 -0.656 . . . . 0.69 109.229 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 103' ' ' ALA . 12.9 p -147.07 -163.67 1.82 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.023 -0.732 . . . . 1.14 109.023 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.22 19.93 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.302 1.049 . . . . 1.3 110.25 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.56 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -88.88 -81.87 0.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.343 -1.753 . . . . 0.93 110.741 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 -21.29 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.839 -0.619 . . . . 0.83 111.929 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.57 -43.97 96.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.63 110.243 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.3 ttm105 -63.74 -34.97 79.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 1.18 110.221 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -64.02 -52.37 59.82 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.625 -0.716 . . . . 0.83 110.29 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.28 -46.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.482 -0.326 . . . . 0.53 111.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -41.91 64.16 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.813 0.301 . . . . 0.86 111.813 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 m -79.41 -28.54 41.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.612 0.244 . . . . 0.67 111.465 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.55 -35.23 77.14 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.759 0.314 . . . . 0.88 111.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.65 -21.75 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.913 0.387 . . . . 0.93 110.624 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.16 27.0 29.42 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.053 -0.594 . . . . 0.89 112.225 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.1 mm-40 -87.66 173.76 8.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.108 0.48 . . . . 1.61 111.445 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 2.0 mptt -99.11 77.07 2.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.743 -0.662 . . . . 1.18 111.265 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 114' ' ' GLU . 3.3 mp -134.07 126.62 30.49 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.893 -0.41 . . . . 1.27 109.893 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -94.05 176.19 6.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.345 -0.388 . . . . 1.04 110.104 179.34 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.36 -37.54 75.41 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.852 -0.796 . . . . 1.38 108.852 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.94 -35.21 78.03 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.084 -0.962 . . . . 2.33 110.352 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HB2' ' N ' ' A' ' 117' ' ' THR . 4.3 mm-40 -69.88 -41.19 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.362 -0.381 . . . . 1.86 110.085 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.59 ' O ' ' HB ' ' A' ' 125' ' ' ILE . 79.8 t -59.3 -42.32 86.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.022 -0.535 . . . . 0.76 110.287 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 125' ' ' ILE . 11.2 t70 -71.17 -37.24 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.96 111.114 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.59 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 3.1 tp10 -64.49 -44.75 90.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 1.2 110.964 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.703 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 22.1 ttt -73.02 -39.28 66.14 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.715 0.293 . . . . 0.76 110.738 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ILE . . . . . 0.59 ' HB ' ' O ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -53.03 -18.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 113.303 0.853 . . . . 0.92 113.303 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.59 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 13.2 mtm105 -94.31 15.6 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.903 -0.498 . . . . 0.94 111.444 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -40.77 29.23 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.549 -0.538 . . . . 2.04 109.549 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.81 -21.04 13.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.955 -0.566 . . . . 0.96 110.896 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 91.13 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.116 0.484 . . . . 0.87 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.2 mm -86.03 -32.32 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.536 -0.756 . . . . 1.01 111.274 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -70.33 -28.25 65.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.804 -0.634 . . . . 1.02 111.135 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.09 41.18 10.56 Favored Glycine 0 CA--C 1.508 -0.406 0 N-CA-C 111.236 -0.745 . . . . 0.94 111.236 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.06 -11.77 13.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.265 . . . . 0.95 111.337 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.66 13.78 66.69 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 121.225 -0.512 . . . . 0.84 113.66 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLN . . . . . 0.527 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 39.5 mt-30 -130.75 107.54 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.002 0.401 . . . . 1.26 110.946 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.586 HG23 HD13 ' A' ' 125' ' ' ILE . 66.7 t -76.46 103.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.847 -0.797 . . . . 0.69 108.847 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -82.55 179.48 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.709 -0.397 . . . . 0.97 110.441 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.16 -45.99 79.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.35 111.361 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.88 -46.19 89.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.109 0.481 . . . . 2.6 110.91 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.59 -39.22 93.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.586 . . . . 0.66 110.061 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.408 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 54.3 t80 -67.6 -48.15 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.88 111.415 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.88 -41.75 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.321 -0.399 . . . . 0.7 111.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -66.74 -12.84 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.975 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.594 ' SD ' ' HB3' ' B' ' 15' ' ' GLN . 1.9 tmm? -109.69 -36.78 5.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.361 -0.381 . . . . 0.89 111.689 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.562 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -82.24 -39.76 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.047 0.388 . . . . 1.47 112.047 -178.595 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 m -99.5 -10.59 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.434 . . . . 1.07 111.8 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.561 -0.29 . . . . 1.33 110.758 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.455 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.273 0.559 . . . . 2.55 110.355 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ASP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -16.23 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.471 2.026 . . . . 1.88 116.471 -178.507 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.811 ' SG ' HD21 ' A' ' 32' ' ' LEU . 99.7 m -63.33 -38.71 92.22 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.208 -0.933 . . . . 0.64 112.905 -177.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.736 HD13 ' HG2' ' A' ' 71' ' ' MET . 9.9 tp -70.49 -35.3 73.17 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 111.611 0.226 . . . . 1.25 111.611 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.822 ' SG ' HG21 ' A' ' 91' ' ' VAL . 6.7 p -67.76 -27.24 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.778 -0.823 . . . . 0.61 108.778 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.776 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -65.49 -39.98 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.403 -1.332 . . . . 0.62 107.403 176.724 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 3' ' ' CYS . 23.3 t -65.68 -40.84 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.951 -1.022 . . . . 0.57 109.427 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.562 HG22 ' SD ' ' A' ' 145' ' ' MET . 1.5 m -67.23 -39.93 86.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.982 0.42 . . . . 0.63 110.354 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -61.88 -36.04 80.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.469 0.652 . . . . 0.83 109.812 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -39.99 72.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.511 -0.768 . . . . 2.03 109.634 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -62.19 -47.91 82.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.84 -0.8 . . . . 1.32 108.84 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.9 t80 -60.49 -41.54 94.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.103 -0.953 . . . . 1.21 110.343 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.703 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 10.5 ttt180 -77.44 -10.42 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 3.1 111.213 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -94.5 -19.94 20.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.713 0.768 . . . . 1.47 108.986 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.594 ' HB3' ' SD ' ' A' ' 144' ' ' MET . 0.9 OUTLIER -84.06 -17.2 41.1 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.902 -1.045 . . . . 1.41 111.054 -179.032 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -46.94 85.5 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.451 -0.574 . . . . 2.65 109.451 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.82 77.32 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.837 0.827 . . . . 4.01 109.921 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -128.31 -35.74 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.788 -1.097 . . . . 3.44 109.694 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.609 -0.71 . . . . 4.48 109.97 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.311 0 CA-C-O 121.145 0.498 . . . . 1.25 111.064 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.21 -41.01 83.1 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.635 -0.711 . . . . 1.97 111.368 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.05 -49.12 74.63 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.127 -0.694 . . . . 1.98 109.127 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.82 -48.48 81.53 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.49 -0.777 . . . . 1.62 110.146 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.9 -38.88 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 1.13 110.695 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.88 60.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.219 -0.446 . . . . 0.74 110.77 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -63.46 -52.25 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.173 0.511 . . . . 1.57 110.359 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -59.83 -29.44 68.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 1.85 111.673 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 25.8 ttpt -60.5 -41.98 95.41 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.269 0.557 . . . . 1.5 110.309 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.08 -41.0 99.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.106 -0.702 . . . . 1.64 109.106 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -47.24 85.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.51 110.09 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.29 -42.13 73.21 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.065 0.46 . . . . 1.23 109.996 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -68.9 -15.11 63.4 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.566 -0.743 . . . . 0.77 110.925 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.97 -48.15 7.64 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 109.301 -0.629 . . . . 1.43 109.301 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' HD12 ' B' ' 6' ' ' ILE . 27.8 m-85 -68.4 -44.13 75.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.281 -0.418 . . . . 0.56 110.689 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -80.07 138.66 37.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.54 111.266 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -137.73 -6.83 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.824 0.305 . . . . 0.73 111.824 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -96.29 -13.31 23.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.642 -0.423 . . . . 0.57 110.549 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.71 80.88 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.937 -0.649 . . . . 0.59 112.433 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.8 -30.34 26.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.981 0.419 . . . . 0.58 109.937 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.11 -21.8 42.99 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.903 -0.59 . . . . 0.74 113.329 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.402 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -92.1 140.55 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 0.47 111.241 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.597 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.77 127.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.741 . . . . 0.41 110.384 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -116.86 178.35 4.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.567 -0.531 . . . . 0.41 109.567 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -83.68 -28.7 28.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.061 0.458 . . . . 0.6 110.402 -179.186 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HD3' ' O ' ' A' ' 30' ' ' LYS . 6.8 tmtt? -78.32 -27.94 47.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.176 -0.465 . . . . 2.22 110.926 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.0 mt-10 -75.54 -54.83 6.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 122.328 -0.233 . . . . 0.42 110.851 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.6 mp -60.74 -37.56 82.18 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.188 0.518 . . . . 0.5 111.195 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.08 -35.5 64.68 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.6 -0.727 . . . . 0.5 111.641 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.5 m -60.56 -46.32 90.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.86 0.362 . . . . 0.6 110.043 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 11.0 t -66.72 -41.64 88.31 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 121.669 -0.644 . . . . 0.63 110.843 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.7 ttm -68.22 -11.13 58.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.984 -1.007 . . . . 1.07 111.01 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -85.88 -42.73 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.478 -0.564 . . . . 1.82 109.478 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -15.05 61.96 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.746 -0.661 . . . . 0.8 110.062 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 17.7 mt -69.3 -14.65 63.06 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.857 -0.611 . . . . 0.86 110.681 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 94' ' ' LYS . . . 98.87 17.9 26.57 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.286 -0.483 . . . . 0.89 112.695 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.57 156.68 43.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.763 0.316 . . . . 1.25 110.422 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -128.5 106.99 19.04 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.392 -0.367 . . . . 1.37 110.77 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -91.48 138.5 2.18 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.657 2.238 . . . . 0.74 113.057 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 p -87.25 176.01 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 1.04 110.031 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -52.78 -38.25 60.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.919 0.39 . . . . 2.18 110.717 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.22 76.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.63 110.708 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -41.42 71.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.567 0.699 . . . . 1.57 110.14 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 23.3 mt -63.89 -23.8 67.49 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.44 -0.8 . . . . 0.64 111.22 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -88.01 -37.53 16.26 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.101 -0.703 . . . . 1.26 109.101 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.25 -42.61 95.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.43 -1.259 . . . . 1.38 110.483 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 10.6 mmt -63.59 -51.76 63.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.705 -0.68 . . . . 1.38 111.197 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.45 -38.42 81.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.887 -0.597 . . . . 0.48 110.532 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -52.6 -35.46 54.34 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 1.4 111.905 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.42 -36.58 73.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.96 -0.564 . . . . 2.84 111.16 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' VAL . . . . . 0.434 HG11 HG23 ' A' ' 63' ' ' ILE . 14.9 t -97.59 -43.83 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-N 116.105 -0.498 . . . . 0.82 111.205 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 12.3 t70 -68.3 103.29 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.113 0.483 . . . . 0.55 111.26 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.11 -5.15 14.81 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.53 0.681 . . . . 0.68 110.032 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.42 28.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.151 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 50.28 4.46 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 116.135 -0.484 . . . . 0.9 112.556 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.65 -25.98 3.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.741 0.305 . . . . 0.6 110.407 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.466 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.35 40.86 7.67 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.999 -0.619 . . . . 0.52 112.062 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 m -155.25 130.28 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.477 0.18 . . . . 0.57 110.915 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.597 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 16.3 mt -77.21 95.2 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.383 -0.969 . . . . 0.46 108.383 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -98.11 177.61 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.52 111.184 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -50.63 78.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 112.942 0.719 . . . . 1.15 112.942 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.06 -52.32 9.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.059 1.839 . . . . 0.63 112.157 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.17 -28.38 68.06 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 121.165 0.507 . . . . 0.51 110.134 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 31.8 t80 -63.92 -36.17 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 1.44 110.215 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 mt -70.54 -53.5 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.741 -0.663 . . . . 0.89 109.433 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -56.14 -49.31 74.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.963 -1.017 . . . . 0.74 110.909 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' MET . . . . . 0.638 ' CG ' HD22 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -62.9 -39.43 94.5 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.23 -0.895 . . . . 0.71 111.567 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 ttm -67.57 -43.59 80.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.242 -0.436 . . . . 1.69 110.421 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.93 63.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.64 0.733 . . . . 0.63 109.923 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -79.2 -2.14 39.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.277 -0.874 . . . . 1.45 111.309 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -129.14 -9.23 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.184 0.516 . . . . 0.86 111.735 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.0 ttm -72.05 -40.18 68.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.155 0.502 . . . . 1.68 109.857 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -142.46 54.5 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.99 -0.55 . . . . 1.95 110.298 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -68.81 117.7 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.109 0.48 . . . . 1.41 111.076 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 HG23 ' A' ' 146' ' ' THR . 26.6 p -130.55 11.63 5.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.72 0.772 . . . . 1.45 109.001 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.06 20.75 8.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.023 -0.99 . . . . 1.78 109.566 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' SER . . . . . 0.466 ' HB3' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -38.66 103.96 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.939 1.829 . . . . 1.1 115.939 -177.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.25 -69.47 0.81 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.705 -1.22 . . . . 1.86 107.705 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -110.99 -7.04 14.57 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 109.268 -0.642 . . . . 2.7 109.268 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.69 -58.14 9.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.74 . . . . 1.27 111.835 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ILE . . . . . 0.624 ' CD1' ' HA ' ' A' ' 142' ' ' VAL . 6.3 mt -63.1 -31.18 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.827 -0.624 . . . . 1.5 110.02 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD3' ' OH ' ' A' ' 138' ' ' TYR . 3.2 tpt180 -65.59 -44.65 85.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.259 -0.645 . . . . 2.57 109.259 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.423 ' HG3' ' HB3' ' B' ' 1' ' ' MET . 0.0 OUTLIER -50.18 -53.71 25.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.893 -0.594 . . . . 1.47 110.743 178.738 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.97 -24.11 61.54 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.25 0.463 . . . . 0.41 112.25 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.3 t80 -72.13 -39.38 68.88 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.252 -1.018 . . . . 0.75 108.252 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -28.81 63.1 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.858 -1.065 . . . . 2.35 110.54 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.753 HG21 ' SG ' ' B' ' 5' ' ' CYS . 32.3 t -73.74 -40.31 53.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.342 -0.39 . . . . 0.47 110.828 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.54 -36.47 38.33 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.47 110.647 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.19 89.46 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.954 -0.566 . . . . 0.8 109.517 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 40' ' ' GLY . 23.6 tttm -71.6 -37.62 70.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 1.7 112.893 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -70.83 -12.8 61.76 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.8 0.296 . . . . 0.67 111.8 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.93 24.27 71.47 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.048 -0.596 . . . . 0.72 112.53 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -85.55 -21.79 28.4 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.648 0.261 . . . . 0.72 110.545 -179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.91 30.36 8.99 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.317 -0.944 . . . . 0.58 112.964 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 13.9 m-85 -150.62 111.96 4.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.439 0.638 . . . . 1.57 111.359 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -87.41 133.86 29.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.264 -0.88 . . . . 0.69 110.987 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.09 -173.67 4.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.685 -0.857 . . . . 1.14 108.685 179.026 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.96 5.74 3.1 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 122.631 1.205 . . . . 1.3 109.387 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.67 -74.62 0.15 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 112.955 -1.929 . . . . 0.93 108.223 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -88.41 -21.25 24.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.44 0.904 . . . . 0.83 113.44 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.07 -41.26 92.03 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 120.096 -0.642 . . . . 0.63 109.374 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -58.5 -45.64 88.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.857 -0.61 . . . . 1.18 110.098 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.77 -50.16 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.368 -0.833 . . . . 0.83 111.403 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' GLU . 3.2 t -69.59 -39.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.833 0.308 . . . . 0.53 111.833 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -46.41 86.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.452 0.168 . . . . 0.86 111.08 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -72.93 -27.6 61.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.339 -0.391 . . . . 0.67 110.948 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -39.11 68.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.829 0.307 . . . . 0.88 111.829 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.7 -10.91 60.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.622 0.249 . . . . 0.93 111.67 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 36.05 30.54 Favored Glycine 0 CA--C 1.507 -0.439 0 C-N-CA 120.659 -0.781 . . . . 0.89 112.141 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -87.23 166.47 14.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.165 0.507 . . . . 1.61 111.045 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD2' ' OE1' ' A' ' 114' ' ' GLU . 0.6 OUTLIER -93.97 64.79 3.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.516 -0.765 . . . . 1.18 110.255 -179.309 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 114' ' ' GLU . 5.2 mp -138.11 125.49 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 1.27 111.849 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -92.66 -176.49 4.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 1.04 110.279 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -47.03 79.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.895 0.331 . . . . 1.38 111.895 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -68.91 -23.38 64.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.355 -0.384 . . . . 2.33 111.478 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.81 -33.5 66.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.59 0.709 . . . . 1.86 109.093 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -65.05 -44.09 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.76 109.425 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -47.09 85.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.502 -0.555 . . . . 0.96 109.502 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.488 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 16.9 tp10 -56.83 -48.96 76.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.836 -0.62 . . . . 1.2 111.302 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' MET . . . . . 0.777 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.0 ttt -65.19 -45.92 82.87 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.23 -0.441 . . . . 0.76 111.352 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.54 -28.79 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 112.345 0.498 . . . . 0.92 112.345 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' ARG . . . . . 0.488 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 23.8 mtm105 -85.22 19.55 2.21 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.639 0.607 . . . . 0.94 112.639 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' GLU . . . . . 0.484 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -94.76 -48.89 5.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.655 -0.418 . . . . 2.04 110.852 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ALA . . . . . 0.748 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -91.87 -26.72 18.35 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.96 110.787 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.61 108.53 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.569 0.543 . . . . 0.87 109.686 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.2 mm -102.27 -30.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 1.01 111.926 -177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 133' ' ' ASP . 6.2 p-10 -79.81 -11.6 59.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 1.02 109.298 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 59.32 7.23 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.94 113.381 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ASP . . . . . 0.481 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 2.5 p-10 -118.54 -5.71 10.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.752 0.276 . . . . 0.95 110.732 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.55 -1.33 78.81 Favored Glycine 0 N--CA 1.46 0.265 0 C-N-CA 120.94 -0.647 . . . . 0.84 113.136 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.09 141.71 51.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.028 0.442 . . . . 1.26 110.851 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' VAL . . . . . 0.407 HG21 ' OH ' ' B' ' 12' ' ' TYR . 58.3 t -99.66 113.14 34.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.843 -0.799 . . . . 0.69 108.843 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -86.72 -179.99 6.67 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.465 -0.494 . . . . 0.97 110.848 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 138' ' ' TYR . . . . . 0.557 ' O ' HG23 ' A' ' 142' ' ' VAL . 1.9 t80 -55.99 -50.21 71.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 1.35 112.289 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.77 -37.26 84.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.336 0.495 . . . . 2.6 112.336 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.092 0.472 . . . . 0.66 109.868 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 18.7 t80 -71.61 -39.69 70.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.971 -0.559 . . . . 0.88 110.347 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' VAL . . . . . 0.624 ' HA ' ' CD1' ' A' ' 85' ' ' ILE . 32.5 t -52.09 -51.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.502 0.668 . . . . 0.7 110.869 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.55 -44.01 95.4 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.224 -0.898 . . . . 1.5 111.2 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' MET . . . . . 0.748 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.3 mmm -62.72 -36.62 83.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.887 -0.597 . . . . 0.89 111.922 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . 0.576 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -75.33 -39.78 59.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 1.47 110.215 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 146' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 79' ' ' THR . 90.4 m -66.78 -58.36 5.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.071 -0.513 . . . . 1.07 111.996 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.522 . . . . 1.33 111.329 -179.698 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.884 -0.784 . . . . 2.55 108.884 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ASP . . . . . 0.536 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -28.16 -72.31 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 115.687 1.736 . . . . 1.88 115.687 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 3' ' ' CYS . . . . . 0.691 ' SG ' HD21 ' A' ' 32' ' ' LEU . 79.1 m -65.7 -26.76 67.92 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.88 0.696 . . . . 0.64 112.88 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.638 HD22 ' CG ' ' A' ' 71' ' ' MET . 6.4 tp -81.5 -34.61 31.17 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.07 0.548 . . . . 1.25 110.411 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' CYS . . . . . 0.753 ' SG ' HG21 ' A' ' 91' ' ' VAL . 16.8 p -69.62 -25.31 63.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.859 -1.163 . . . . 0.61 107.859 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ILE . . . . . 0.685 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.14 -43.32 95.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 106.999 -1.482 . . . . 0.62 106.999 176.039 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 7' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 3' ' ' CYS . 23.5 t -61.08 -43.89 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.201 -0.909 . . . . 0.57 109.67 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' THR . . . . . 0.576 HG23 ' SD ' ' A' ' 145' ' ' MET . 8.3 m -63.67 -43.51 96.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.603 -0.517 . . . . 0.63 109.603 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 49.5 m -58.52 -37.74 76.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.367 0.603 . . . . 0.83 109.786 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -70.38 -40.99 73.66 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.035 -0.53 . . . . 2.03 110.762 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.9 -45.17 82.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.96 -0.756 . . . . 1.32 108.96 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 79.9 t80 -63.52 -44.09 95.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 1.21 110.626 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.777 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 8.2 ttp85 -72.5 -20.23 61.4 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.767 -0.651 . . . . 3.1 111.24 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -91.47 -14.38 30.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.19 0.519 . . . . 1.47 110.642 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' B' ' 15' ' ' GLN . 1.7 tp60 -76.38 -23.77 54.1 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.45 -0.795 . . . . 1.41 110.745 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -23.91 67.48 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.36 0.6 . . . . 2.65 109.685 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -73.87 72.65 1.58 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.659 0.742 . . . . 4.01 109.834 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -137.9 -43.64 0.52 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.65 -0.705 . . . . 3.44 110.089 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.078 -0.965 . . . . 4.48 108.987 177.878 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD23 HD11 ' A' ' 9' ' ' ILE . 19.1 tp . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.128 0.489 . . . . 1.71 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.96 134.03 55.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.304 -0.862 . . . . 1.25 111.939 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -59.71 -33.74 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.754 -0.657 . . . . 1.97 110.754 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 3.1 mp0 -60.98 -45.83 93.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.177 -0.675 . . . . 1.98 109.177 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.46 -46.86 86.56 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.86 -0.609 . . . . 1.62 109.475 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.432 HD11 HD23 ' A' ' 4' ' ' LEU . 23.2 mm -51.72 -44.84 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.514 -0.312 . . . . 1.13 111.27 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.66 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.74 110.675 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 75.3 mt-10 -73.46 -47.73 39.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 1.57 109.953 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.16 -28.45 67.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.095 0.474 . . . . 1.85 110.203 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.11 -38.13 75.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.897 -0.779 . . . . 1.5 108.897 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.57 -46.05 77.29 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.713 -0.676 . . . . 1.64 110.361 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.75 -51.43 70.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.21 -0.45 . . . . 0.51 111.117 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.448 ' HZ ' ' O ' ' A' ' 25' ' ' GLY . 43.7 t80 -55.44 -35.55 65.56 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.236 -0.893 . . . . 1.23 110.128 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.1 m -69.24 -23.82 63.92 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 124.156 0.91 . . . . 0.77 112.106 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -89.24 -35.58 16.1 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 119.818 -0.753 . . . . 1.43 111.156 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -69.41 -38.28 77.86 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 118.039 0.382 . . . . 0.56 110.806 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -81.49 132.62 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.876 0.369 . . . . 0.54 110.997 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -133.8 20.8 3.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.73 111.609 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -128.51 -17.38 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.527 -0.306 . . . . 0.57 111.76 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.36 69.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.006 -0.616 . . . . 0.59 112.369 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -35.61 16.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.772 0.32 . . . . 0.58 110.524 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HZ ' ' A' ' 16' ' ' PHE . . . 100.24 15.65 29.74 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.413 -0.898 . . . . 0.74 113.291 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -133.04 142.47 48.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.884 -0.413 . . . . 0.47 109.884 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.7 mt -81.46 124.31 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.064 -0.347 . . . . 0.41 110.064 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -110.55 177.42 4.69 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.837 0.351 . . . . 0.41 110.337 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -82.69 -32.63 27.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.365 0.602 . . . . 0.6 110.195 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -69.46 -33.5 73.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.756 -0.656 . . . . 2.22 111.682 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -72.84 -56.26 5.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.774 0.321 . . . . 0.42 110.615 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.722 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.5 mp -64.62 -35.85 82.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.5 111.254 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.6 72.22 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.139 -0.784 . . . . 0.5 111.139 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.7 m -62.49 -40.57 97.13 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 115.65 -0.275 . . . . 0.6 110.943 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.9 -41.47 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.911 0.386 . . . . 0.63 110.024 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.77 -11.51 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 1.07 110.421 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -88.3 -40.99 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.89 -1.05 . . . . 1.82 108.707 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 m -71.05 -3.01 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.351 -0.841 . . . . 0.8 110.664 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -86.7 -3.3 59.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.067 -0.515 . . . . 0.86 110.922 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.05 7.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.387 -0.911 . . . . 0.89 112.0 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -140.03 162.64 34.73 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.048 -0.353 . . . . 1.25 110.048 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -142.47 96.67 6.25 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.393 -0.595 . . . . 1.37 109.393 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -93.36 149.95 2.43 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.148 2.565 . . . . 0.74 112.801 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -92.64 178.43 5.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.182 -0.463 . . . . 1.04 109.99 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.76 34.6 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.19 0.441 . . . . 2.18 112.19 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.59 70.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.148 0.499 . . . . 0.63 111.054 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.9 mp0 -75.7 -41.84 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.397 -0.82 . . . . 1.57 110.592 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.45 -36.24 73.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 0.64 112.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -85.72 -23.42 27.36 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.282 -0.567 . . . . 1.26 110.08 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.41 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.589 . . . . 1.38 110.217 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 12.2 mmt -64.76 -43.81 92.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.113 -0.948 . . . . 1.38 109.828 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.15 -42.6 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.911 -1.04 . . . . 0.48 111.394 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -55.11 -28.61 53.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.368 -0.378 . . . . 1.4 111.368 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.88 -35.32 79.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 2.84 110.775 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.9 -33.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.704 -0.68 . . . . 0.82 109.869 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.72 123.46 20.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.415 -0.811 . . . . 0.55 111.717 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.69 -15.67 7.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.964 -0.562 . . . . 0.68 110.712 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.0 -31.51 34.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.74 111.038 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.14 25.47 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.57 -0.824 . . . . 0.9 113.196 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -106.24 -25.55 11.92 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.751 -0.38 . . . . 0.6 111.369 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.58 48.18 4.84 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.393 -0.908 . . . . 0.52 112.396 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.3 m -159.13 134.56 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.743 0.417 . . . . 0.57 109.924 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 49.3 mt -77.62 93.88 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -179.01 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.52 110.908 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.82 -51.27 49.4 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.643 0.979 . . . . 1.15 113.643 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.44 -47.27 26.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.841 1.694 . . . . 0.63 112.772 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -71.5 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.51 110.62 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.4 t80 -65.22 -38.98 92.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.768 -0.651 . . . . 1.44 110.369 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.57 -51.09 60.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.405 . . . . 0.89 110.725 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -44.58 92.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.036 0.446 . . . . 0.74 110.535 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.748 ' HG2' HD13 ' B' ' 4' ' ' LEU . 6.5 ttp -59.2 -43.22 92.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.71 110.607 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 5.2 tmm? -65.88 -44.81 84.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 1.69 110.422 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.3 69.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.63 110.091 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -70.23 -15.16 62.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.53 -0.759 . . . . 1.45 111.49 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.823 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.1 OUTLIER -116.53 -39.85 3.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.361 -0.536 . . . . 0.86 111.907 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.459 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 2.5 tmm? -51.08 -35.88 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.194 0.521 . . . . 1.68 110.877 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -123.47 31.45 5.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.62 -0.718 . . . . 1.95 110.613 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.42 117.68 14.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 1.41 111.315 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 p -142.71 16.85 1.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.303 -0.862 . . . . 1.45 109.242 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -133.52 30.51 3.81 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.523 -1.288 . . . . 1.78 107.523 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -41.61 110.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.67 -1.604 . . . . 1.1 114.269 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 5.3 tp10 -108.77 -77.05 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.53 -0.915 . . . . 1.86 108.53 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.43 -21.35 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.912 -0.773 . . . . 2.7 108.912 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 7.0 mm-40 -52.17 -41.08 62.31 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.683 -1.144 . . . . 1.27 112.044 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 33.4 mt -56.39 -47.76 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.286 0.565 . . . . 1.5 109.752 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -43.41 96.68 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.584 -0.734 . . . . 2.57 112.005 -178.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.645 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 26.6 tt0 -48.12 -64.84 0.68 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.405 0.621 . . . . 1.47 112.265 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -23.15 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.41 111.622 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 121.092 0.472 . . . . 0.75 110.197 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -79.79 -18.93 49.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 2.35 110.931 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.695 HG21 ' SG ' ' B' ' 5' ' ' CYS . 98.3 t -85.61 -35.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.47 109.836 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -83.97 -44.39 14.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.479 -0.328 . . . . 0.47 110.72 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.15 97.11 9.18 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.735 0.779 . . . . 0.8 109.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -82.33 -32.82 29.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.638 -1.165 . . . . 1.7 111.703 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -75.03 -26.41 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.67 111.539 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.01 35.15 35.65 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.844 -0.693 . . . . 0.72 111.703 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.577 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -101.5 -19.05 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.72 110.193 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.83 21.14 34.54 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 120.802 -0.713 . . . . 0.58 113.548 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 7.6 m-85 -143.36 110.61 5.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 117.036 0.418 . . . . 1.57 110.162 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 5.8 mt -83.36 150.68 4.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 116.42 -0.354 . . . . 0.69 110.667 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.5 p -153.78 -177.5 6.43 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.595 -0.15 . . . . 1.14 110.595 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.02 3.55 4.29 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 122.466 1.127 . . . . 1.3 109.699 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.61 -68.43 0.68 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.269 -1.787 . . . . 0.93 108.51 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.88 -34.9 57.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.846 -1.07 . . . . 0.83 112.224 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.606 HD23 HG13 ' A' ' 121' ' ' VAL . 24.2 tp -61.1 -39.42 89.9 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.934 -0.306 . . . . 0.63 111.127 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -59.61 -43.61 93.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.18 110.329 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -50.42 73.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.783 -0.644 . . . . 0.83 110.795 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.5 t -63.04 -42.03 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.256 0.465 . . . . 0.53 112.256 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -34.96 77.68 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.992 0.425 . . . . 0.86 111.204 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -82.15 -29.75 31.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.95 -0.568 . . . . 0.67 110.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -38.71 80.46 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.88 110.5 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD22 HD11 ' B' ' 6' ' ' ILE . 56.8 mt -75.4 -33.71 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.93 109.85 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.81 33.88 7.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.998 -0.62 . . . . 0.89 113.16 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.29 164.48 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.217 -0.29 . . . . 1.61 110.217 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -85.23 64.93 8.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.735 0.302 . . . . 1.18 111.787 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.63 128.91 38.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.941 0.4 . . . . 1.27 110.766 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.8 p -90.11 -175.58 4.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.465 -0.568 . . . . 1.04 109.465 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.42 -36.8 85.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 1.38 110.765 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.97 -27.83 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 2.33 110.981 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.97 -32.22 65.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.408 0.623 . . . . 1.86 109.941 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.606 HG13 HD23 ' A' ' 105' ' ' LEU . 54.0 t -65.69 -44.25 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.471 -0.786 . . . . 0.76 110.844 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.82 -36.83 81.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 0.96 111.026 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.423 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.4 tp10 -66.4 -49.51 66.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.734 -0.666 . . . . 1.2 110.447 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.798 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -60.51 -42.11 95.73 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.66 -0.7 . . . . 0.76 109.979 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.7 mm -51.91 -29.41 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 112.709 0.633 . . . . 0.92 112.709 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.455 ' HA ' ' HB3' ' A' ' 129' ' ' ASP . 22.6 mtm105 -84.67 13.93 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.436 0.532 . . . . 0.94 112.436 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -41.96 19.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.886 -0.783 . . . . 2.04 108.886 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -99.98 -13.48 19.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.96 110.521 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.455 ' HB3' ' HA ' ' A' ' 126' ' ' ARG . 39.3 t0 -77.34 99.07 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.87 110.023 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.78 -47.67 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 1.01 111.544 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.74 -18.3 61.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.478 -0.328 . . . . 1.02 111.305 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 49.77 32.76 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.358 -0.925 . . . . 0.94 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -7.7 24.02 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.118 0.485 . . . . 0.95 110.33 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.85 4.52 63.38 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.769 -0.651 . . . . 0.84 111.79 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 70.2 mt-30 -135.96 157.95 45.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.379 0.609 . . . . 1.26 111.432 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.95 114.8 47.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.12 -1.067 . . . . 0.69 108.12 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.685 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 30.9 p30 -92.16 176.26 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.456 -0.497 . . . . 0.97 110.433 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 142' ' ' VAL . 10.7 t80 -54.92 -48.01 73.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.789 -0.641 . . . . 1.35 111.182 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -58.2 -46.1 86.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 2.6 111.44 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.42 -38.51 91.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.8 -0.636 . . . . 0.66 110.689 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.596 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 10.9 t80 -70.26 -40.47 74.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.296 -0.411 . . . . 0.88 110.911 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.1 t -61.71 -49.15 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.277 0.56 . . . . 0.7 110.511 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.96 -6.64 28.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.5 112.088 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.407 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 1.5 tmm? -103.98 -41.1 5.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.33 . . . . 0.89 111.184 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.404 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -85.17 -44.14 13.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 1.47 111.886 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.1 m -83.28 -30.82 27.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.045 -0.525 . . . . 1.07 111.58 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.238 -0.437 . . . . 1.33 110.698 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.554 ' O ' ' HB3' ' B' ' 5' ' ' CYS . 45.4 tpp . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.846 0.355 . . . . 2.55 110.623 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.457 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -86.74 -71.11 0.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 1.88 111.28 -178.037 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.722 ' SG ' HD21 ' A' ' 32' ' ' LEU . 91.4 m -61.4 -28.93 69.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.387 -0.369 . . . . 0.64 110.592 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' A' ' 75' ' ' LYS . 8.5 tp -75.84 -36.32 59.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.415 -0.357 . . . . 1.25 110.347 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.695 ' SG ' HG21 ' A' ' 91' ' ' VAL . 7.8 p -65.54 -23.35 66.85 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.544 -0.91 . . . . 0.61 108.544 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.81 -39.35 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 108.301 -1.0 . . . . 0.62 108.301 176.574 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 3' ' ' CYS . 11.1 t -68.69 -34.44 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 108.77 -0.826 . . . . 0.57 108.77 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.404 HG23 ' HD2' ' A' ' 75' ' ' LYS . 3.1 m -71.27 -40.34 70.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.095 -0.502 . . . . 0.63 109.776 177.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -64.33 -36.91 85.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.83 109.504 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.434 ' HE3' ' HB3' ' A' ' 11' ' ' GLU . 4.5 tmtt? -69.8 -37.17 76.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.447 -0.575 . . . . 2.03 109.447 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -66.35 -45.93 78.5 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.345 -0.613 . . . . 1.32 109.345 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.596 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 80.3 t80 -64.35 -36.55 84.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.274 -0.875 . . . . 1.21 109.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.798 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 12.8 ttp85 -82.97 -10.27 58.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.026 -0.534 . . . . 3.1 111.15 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -96.35 -21.62 17.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 1.47 109.204 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -26.81 60.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.307 -0.861 . . . . 1.41 110.428 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -33.24 75.5 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.18 -0.674 . . . . 2.65 109.18 178.478 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.98 76.43 2.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.955 -1.02 . . . . 4.01 109.877 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -147.99 -62.85 0.26 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.939 0.4 . . . . 3.44 110.132 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.909 -0.567 . . . . 4.48 109.931 179.602 . . . . . . . . 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 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 9' ' ' ILE . 54.2 tp . . . . . 0 N--CA 1.471 0.615 0 CA-C-O 120.384 0.135 . . . . 1.71 110.65 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.69 129.02 39.97 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 123.508 0.505 . . . . 1.25 110.115 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.99 -34.65 70.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.473 -0.331 . . . . 1.97 111.565 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 24.5 mp0 -62.42 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 1.98 110.456 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -51.73 68.34 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.25 -0.648 . . . . 1.62 109.25 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' CD1' HD23 ' A' ' 4' ' ' LEU . 48.9 mm -52.1 -42.46 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.13 110.308 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.21 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.678 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 24.2 mt-10 -72.25 -41.55 66.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.257 -0.429 . . . . 1.57 110.178 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -61.5 -31.79 71.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.223 -0.444 . . . . 1.85 109.927 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -58.73 -39.84 82.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 1.5 109.671 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -67.6 -36.77 81.5 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.612 -0.514 . . . . 1.64 109.612 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.12 73.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.954 -0.566 . . . . 0.51 110.191 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -54.75 -45.17 74.13 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.003 0.43 . . . . 1.23 110.083 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -66.21 -17.18 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.77 110.955 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 tp -87.77 -47.81 8.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 1.43 110.271 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' B' ' 6' ' ' ILE . 43.9 m-85 -71.98 -40.38 68.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.66 0.267 . . . . 0.56 111.294 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 12.5 t70 -78.74 138.0 38.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 0.54 111.258 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -141.29 25.76 2.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.73 111.214 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -127.73 -15.53 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.797 -0.361 . . . . 0.57 110.626 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.42 12.88 69.1 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.581 -0.819 . . . . 0.59 112.733 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -88.84 -33.43 17.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.175 0.487 . . . . 0.58 110.636 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.02 -7.14 56.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.282 -0.961 . . . . 0.74 113.432 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.421 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 2.6 m -106.87 148.09 28.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.355 0.598 . . . . 0.47 110.801 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.529 HG23 HD13 ' A' ' 32' ' ' LEU . 1.6 mt -84.13 119.23 32.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.225 -0.898 . . . . 0.41 111.076 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -108.44 -177.59 3.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.235 -0.654 . . . . 0.41 109.235 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -82.21 -37.68 25.67 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.353 0.597 . . . . 0.6 110.355 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -65.96 -32.32 73.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.303 -0.862 . . . . 2.22 111.839 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.583 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.3 mt-10 -72.63 -54.09 10.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.834 0.35 . . . . 0.42 111.29 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.719 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.8 mp -64.94 -35.11 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.716 -0.476 . . . . 0.5 109.716 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.42 -40.07 93.76 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.967 -0.853 . . . . 0.5 110.967 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.8 m -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.143 -0.528 . . . . 0.6 110.953 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 21.3 t -63.93 -37.82 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.184 0.516 . . . . 0.63 110.406 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.48 ' HA ' HD12 ' A' ' 39' ' ' LEU . 11.1 ttm -69.22 -14.41 62.95 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.667 -0.697 . . . . 1.07 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.725 0.774 . . . . 1.82 109.071 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.98 -10.98 60.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.368 -0.833 . . . . 0.8 110.796 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 36' ' ' MET . 62.4 mt -81.03 -10.76 59.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.641 . . . . 0.86 110.432 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.86 13.89 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.057 -0.817 . . . . 0.89 111.057 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.2 158.29 28.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.39 . . . . 1.25 110.393 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 64.3 t30 -137.93 82.63 25.17 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.794 -0.639 . . . . 1.37 109.585 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 44.2 Cg_endo -87.98 149.02 6.97 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.683 2.255 . . . . 0.74 112.669 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.548 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -105.52 -176.11 2.98 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.105 -0.498 . . . . 1.04 110.633 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -47.86 -31.49 5.11 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.097 0.873 . . . . 2.18 113.146 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.89 -45.3 51.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.294 0.569 . . . . 0.63 111.109 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 44' ' ' THR . 3.1 mp0 -75.5 -42.27 53.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.763 -0.653 . . . . 1.57 110.438 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 52' ' ' ILE . 32.1 mt -59.07 -25.08 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.353 -0.839 . . . . 0.64 110.807 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -89.48 -33.81 16.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.762 -0.458 . . . . 1.26 109.762 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.19 -44.48 83.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.591 -0.731 . . . . 1.38 110.702 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.443 ' SD ' ' HG3' ' B' ' 1' ' ' MET . 5.9 mmt -60.66 -44.77 96.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 1.38 110.512 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 48' ' ' LEU . 42.7 mm -68.19 -46.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 0.48 111.46 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.44 -33.19 65.63 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.394 0.678 . . . . 1.4 112.735 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' OE1' ' HA ' ' B' ' 1' ' ' MET . 6.8 tm-20 -63.03 -31.66 72.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 2.84 110.202 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 t -92.24 -42.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.82 110.965 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 4.5 t70 -64.47 126.85 29.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.217 -0.901 . . . . 0.55 112.64 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.41 -7.8 2.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.449 -0.796 . . . . 0.68 110.133 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.78 -9.85 54.91 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.984 -0.553 . . . . 0.74 110.478 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.9 42.49 25.13 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 115.991 -0.549 . . . . 0.9 113.325 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -23.47 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.91 0.386 . . . . 0.6 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 48.98 7.67 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.145 -0.55 . . . . 0.52 112.819 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -161.49 132.07 5.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.639 0.376 . . . . 0.57 110.804 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 3.5 mt -70.97 100.15 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.002 -0.74 . . . . 0.46 109.002 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.0 -178.39 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.52 111.997 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -64.95 -47.06 74.81 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.625 -0.716 . . . . 1.15 112.721 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 -43.67 57.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.106 1.871 . . . . 0.63 112.126 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 71' ' ' MET . 29.9 mt-10 -75.28 -28.86 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.614 . . . . 0.51 110.846 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.31 -45.58 92.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.315 -0.624 . . . . 1.44 109.315 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -63.99 -46.24 85.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.784 -0.644 . . . . 0.89 110.412 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -62.99 -47.24 84.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 0.74 110.445 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.564 ' HG2' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.14 -38.68 87.27 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.44 -0.8 . . . . 0.71 110.885 179.161 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.564 ' N ' ' HG2' ' A' ' 71' ' ' MET . 5.1 ttm -68.32 -43.08 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 1.69 110.893 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.67 71.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.052 0.453 . . . . 0.63 110.176 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 6.7 ttm180 -67.58 -24.47 65.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.621 . . . . 1.45 110.948 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -20.58 13.28 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.111 0.412 . . . . 0.86 112.111 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.8 ttm -63.64 -56.66 14.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.3 0.571 . . . . 1.68 110.637 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -107.67 38.01 2.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.395 -0.82 . . . . 1.95 110.328 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.07 111.01 1.76 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.122 -0.944 . . . . 1.41 110.581 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.83 5.8 0.69 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.883 0.849 . . . . 1.45 110.098 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.4 33.61 3.56 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.381 -1.711 . . . . 1.78 106.381 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.453 ' CB ' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -43.01 119.93 1.65 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.513 -1.676 . . . . 1.1 113.113 -178.06 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -108.9 -50.56 2.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.984 -1.007 . . . . 1.86 109.713 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -115.54 -24.86 8.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.722 -0.672 . . . . 2.7 110.706 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -51.42 -47.68 62.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.363 -0.835 . . . . 1.27 111.349 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 93.9 mt -52.63 -51.31 35.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-O 120.886 0.374 . . . . 1.5 110.211 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -66.59 -45.93 77.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 2.57 110.79 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.662 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 1.6 tt0 -53.9 -61.04 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.111 0.564 . . . . 1.47 111.924 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.19 -25.9 68.28 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.637 0.256 . . . . 0.41 111.27 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -73.71 -40.69 63.41 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.178 0.513 . . . . 0.75 109.722 -179.395 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -65.21 -34.36 78.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.475 -0.784 . . . . 2.35 111.235 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.766 HG21 ' SG ' ' B' ' 5' ' ' CYS . 93.1 t -75.42 -36.77 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.042 -0.526 . . . . 0.47 111.645 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -81.04 -28.97 35.18 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.086 0.47 . . . . 0.47 110.373 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -99.43 95.36 6.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.8 110.95 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 35.1 tttm -84.2 -22.1 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.103 0.409 . . . . 1.7 112.103 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -84.51 -22.15 30.3 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.37 -0.532 . . . . 0.67 111.998 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.33 27.27 59.94 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.423 -0.418 . . . . 0.72 113.311 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -93.33 -13.42 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.547 -0.384 . . . . 0.72 111.026 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.36 31.67 27.3 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.58 112.857 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 5.0 m-85 -145.21 116.91 8.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.094 -0.335 . . . . 1.57 110.094 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 mt -90.41 123.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.932 -0.396 . . . . 0.69 109.932 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.555 ' HB3' ' HG2' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -135.27 -164.65 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.234 -0.291 . . . . 1.14 111.072 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.62 17.7 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.309 1.052 . . . . 1.3 109.584 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -89.03 -83.33 0.23 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.688 -1.596 . . . . 0.93 111.061 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.5 mp0 -75.03 -28.7 60.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.104 -0.498 . . . . 0.83 112.275 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.74 -36.62 83.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.456 0.646 . . . . 0.63 110.498 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -60.75 -31.74 71.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.189 -0.914 . . . . 1.18 110.445 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.78 -54.82 5.48 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.83 110.321 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 104' ' ' GLU . 30.4 t -49.81 -48.31 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.083 0.553 . . . . 0.53 111.967 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -49.94 74.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.772 0.32 . . . . 0.86 111.478 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -70.16 -29.81 66.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.989 0.423 . . . . 0.67 111.285 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -73.22 -44.55 59.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.092 -0.503 . . . . 0.88 110.909 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.1 -35.65 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.93 110.29 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.11 13.1 14.07 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.715 -0.755 . . . . 0.89 112.762 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.56 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 0.5 OUTLIER -69.79 146.45 51.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.45 0.643 . . . . 1.61 110.828 -179.619 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.61 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -81.97 56.11 3.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.346 -0.843 . . . . 1.18 110.681 -178.705 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -123.49 126.9 47.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 1.27 111.429 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 121' ' ' VAL . 5.8 p -90.2 179.32 5.94 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.362 -0.835 . . . . 1.04 110.793 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.84 -42.23 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 1.38 110.147 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.14 -25.97 67.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.335 -0.848 . . . . 2.33 109.741 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.7 -40.29 23.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 1.86 109.236 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' THR . 55.2 t -59.09 -42.53 86.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.76 110.188 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.74 -29.83 66.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.96 110.762 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -70.73 -49.08 50.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.61 -0.723 . . . . 1.2 110.264 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.792 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 13.4 ttt -64.23 -38.8 92.36 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.874 -0.603 . . . . 0.76 110.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.3 mm -51.43 -27.99 7.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.113 0.412 . . . . 0.92 112.113 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -87.65 23.87 1.85 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.327 0.491 . . . . 0.94 112.327 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -40.13 12.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.599 -0.519 . . . . 2.04 109.599 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.54 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -106.66 -15.34 14.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.96 110.772 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -75.42 89.72 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.578 -0.737 . . . . 0.87 110.486 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.5 mm -84.24 -36.58 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.365 -0.834 . . . . 1.01 110.827 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -63.75 -28.61 70.0 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.275 -0.42 . . . . 1.02 111.44 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.01 33.58 29.16 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.458 -0.657 . . . . 0.94 111.458 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -22.8 16.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.594 0.235 . . . . 0.95 110.497 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.9 12.13 55.78 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.949 -0.643 . . . . 0.84 113.275 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.555 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 26.4 mt-30 -136.03 113.04 10.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.793 0.33 . . . . 1.26 110.176 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -78.27 113.35 17.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.112 -0.495 . . . . 0.69 109.719 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 36.5 p30 -92.93 -169.87 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.023 0.44 . . . . 0.97 111.1 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -57.13 -55.01 40.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.782 -0.644 . . . . 1.35 111.73 -178.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 0.4 OUTLIER -58.85 -49.19 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 2.6 111.663 -177.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.43 -43.61 88.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.097 -0.501 . . . . 0.66 111.102 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.502 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 68.3 t80 -68.05 -42.66 80.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.411 . . . . 0.88 111.491 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 138' ' ' TYR . 61.3 t -59.03 -47.25 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.7 110.805 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 139' ' ' GLU . 42.3 mt-30 -69.19 -8.91 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.368 0.507 . . . . 1.5 112.368 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.54 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.6 tmm? -103.47 -37.75 7.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 0.89 111.858 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.631 ' SD ' HG22 ' B' ' 8' ' ' THR . 42.4 ttp -93.77 -45.22 7.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.763 0.316 . . . . 1.47 111.785 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -81.37 -17.3 49.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.076 0.465 . . . . 1.07 112.021 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.583 -0.28 . . . . 1.33 110.711 179.494 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.501 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.8 mtp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.432 0.634 . . . . 2.55 110.112 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 2' ' ' ASP . 0.0 OUTLIER -61.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.948 -1.024 . . . . 1.88 111.034 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.73 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 84.9 m -59.83 -31.02 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.512 0.672 . . . . 0.64 110.242 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.662 ' HB3' ' OE2' ' A' ' 87' ' ' GLU . 3.3 mm? -67.51 -52.55 37.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 1.25 111.508 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.766 ' SG ' HG21 ' A' ' 91' ' ' VAL . 15.3 p -61.28 -21.53 64.01 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.725 -0.472 . . . . 0.61 109.725 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.763 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.97 -46.93 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 107.595 -1.261 . . . . 0.62 107.595 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.61 -42.46 96.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 109.604 -0.517 . . . . 0.57 109.604 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.631 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -64.8 -41.9 95.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.63 110.674 179.21 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.8 m -61.39 -45.4 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.83 109.926 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 11' ' ' GLU . 12.6 mmtt -65.14 -36.98 85.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.193 -0.458 . . . . 2.03 110.135 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -66.89 -45.54 77.69 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.247 -0.433 . . . . 1.32 109.861 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 91.6 t80 -63.31 -40.61 97.82 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.075 -0.343 . . . . 1.21 110.075 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.792 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.11 -39.58 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.316 -0.402 . . . . 3.1 110.346 178.017 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -64.78 -35.29 80.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.097 0.475 . . . . 1.47 110.001 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -23.93 62.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.467 -0.788 . . . . 1.41 111.755 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -40.26 94.49 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.744 0.307 . . . . 2.65 110.781 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.65 84.12 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.556 -0.905 . . . . 4.01 108.556 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -146.6 -66.83 0.28 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.077 -0.51 . . . . 3.44 112.0 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.826 -0.607 . . . . 4.48 110.717 -179.185 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 5' ' ' THR . 41.2 tp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.514 -0.551 . . . . 1.71 109.514 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -56.48 126.92 28.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 123.42 0.45 . . . . 1.25 111.501 -179.376 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.12 -24.61 66.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 1.97 111.394 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.48 -44.27 96.09 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.25 -0.648 . . . . 1.98 109.25 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.55 -45.84 88.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 1.62 109.967 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm -55.63 -36.84 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.195 0.521 . . . . 1.13 109.833 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -67.89 -35.16 78.02 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.676 -0.693 . . . . 0.74 110.124 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.89 -47.63 58.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.119 -0.491 . . . . 1.57 110.311 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -56.18 -29.34 60.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.513 -0.312 . . . . 1.85 111.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 1.1 ttpm? -53.01 -34.29 55.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.086 -0.506 . . . . 1.5 110.675 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -39.96 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.595 -0.73 . . . . 1.64 109.729 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.63 80.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.579 . . . . 0.51 110.088 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -52.24 -46.22 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.276 0.36 . . . . 1.23 110.693 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -73.6 -12.04 60.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.126 0.489 . . . . 0.77 110.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.07 -51.56 5.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.8 -0.444 . . . . 1.43 109.8 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.711 ' CE2' HD12 ' B' ' 6' ' ' ILE . 41.1 m-85 -69.36 -40.66 77.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.582 -0.281 . . . . 0.56 110.79 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.85 137.53 41.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.54 110.808 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -142.22 21.05 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.066 -0.515 . . . . 0.73 110.667 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -127.55 -16.0 4.91 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.433 -0.349 . . . . 0.57 111.341 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.18 21.11 57.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 0.59 112.211 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -26.13 16.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.026 0.441 . . . . 0.58 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -5.17 76.41 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.985 -0.626 . . . . 0.74 113.559 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -110.44 154.74 23.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.174 0.512 . . . . 0.47 111.307 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.605 HG21 HD12 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -90.32 132.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.359 -0.837 . . . . 0.41 111.07 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -123.04 179.66 4.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.203 -0.666 . . . . 0.41 109.203 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -32.63 31.49 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.496 0.665 . . . . 0.6 110.105 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -76.39 -32.95 58.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 2.22 112.245 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.3 mt-10 -71.53 -50.5 30.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.938 -0.476 . . . . 0.42 111.283 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.8 mp -65.79 -31.12 71.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.133 0.492 . . . . 0.5 109.868 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.23 88.71 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.307 -0.717 . . . . 0.5 111.307 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -62.36 -43.52 98.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.84 -0.18 . . . . 0.6 111.103 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -65.55 -38.4 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 121.262 0.554 . . . . 0.63 109.754 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtm -69.12 -9.88 54.94 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.529 -0.76 . . . . 1.07 111.565 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -86.74 -40.85 14.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.06 -0.719 . . . . 1.82 109.06 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -72.71 -12.35 60.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.241 -0.89 . . . . 0.8 111.64 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.15 6.45 25.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.86 110.108 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.0 26.84 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.848 -0.691 . . . . 0.89 111.486 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -137.74 156.85 47.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.615 -0.513 . . . . 1.25 109.615 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -139.13 85.06 16.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 120.939 0.4 . . . . 1.37 110.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -89.94 142.51 3.92 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 122.901 2.401 . . . . 0.74 112.214 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.456 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -95.99 -177.23 3.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.116 -0.493 . . . . 1.04 109.874 178.011 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.2 -30.47 6.99 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.007 1.114 . . . . 2.18 114.007 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.5 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.295 0.569 . . . . 0.63 110.524 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 44' ' ' THR . 2.8 mp0 -76.19 -38.32 56.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 1.57 109.623 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 52' ' ' ILE . 40.5 mt -56.72 -34.0 67.06 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.64 111.222 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -88.99 -29.8 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.75 -0.463 . . . . 1.26 109.75 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.9 -43.01 90.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.831 -0.803 . . . . 1.38 108.831 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 18.7 mmt -58.25 -51.34 70.17 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.014 -0.993 . . . . 1.38 110.606 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 48' ' ' LEU . 40.3 mm -60.42 -35.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.677 . . . . 0.48 111.659 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -53.6 -36.55 62.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.672 0.619 . . . . 1.4 112.672 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -30.32 69.74 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.364 0.602 . . . . 2.84 110.524 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.2 t -95.73 -49.52 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.824 -0.625 . . . . 0.82 110.874 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.65 124.54 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.314 -0.857 . . . . 0.55 111.668 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.42 -8.36 3.72 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.578 -0.737 . . . . 0.68 110.187 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -19.97 24.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.628 . . . . 0.74 110.751 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 53.08 3.11 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.559 -0.829 . . . . 0.9 111.779 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.031 -0.268 . . . . 0.6 110.813 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.53 39.66 4.38 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.38 -0.914 . . . . 0.52 112.4 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 m -154.95 133.82 12.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.765 0.317 . . . . 0.57 110.881 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.605 HD12 HG21 ' A' ' 27' ' ' ILE . 61.7 mt -75.72 98.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 108.738 -0.838 . . . . 0.46 108.738 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.5 p30 -103.24 178.93 4.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.52 112.151 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 68.1 t80 -67.19 -48.89 47.03 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.654 -0.703 . . . . 1.15 112.746 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.2 Cg_exo -52.76 -54.01 5.86 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.848 1.699 . . . . 0.63 112.55 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -65.14 -27.78 68.97 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.054 -0.258 . . . . 0.51 110.845 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.2 t80 -61.2 -34.5 75.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.72 0.638 . . . . 1.44 109.947 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.37 -55.55 15.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.374 -0.375 . . . . 0.89 110.472 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -39.23 90.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.74 110.728 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' MET . . . . . 1.014 ' HG2' HD21 ' B' ' 4' ' ' LEU . 6.2 ttp -58.05 -51.5 69.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.102 -0.954 . . . . 0.71 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.468 ' SD ' HG13 ' B' ' 7' ' ' VAL . 2.7 tmm? -67.14 -38.76 86.09 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.32 -0.855 . . . . 1.69 110.844 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.24 73.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.73 0.3 . . . . 0.63 111.76 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -72.19 -34.39 68.37 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.487 -0.324 . . . . 1.45 111.31 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.906 ' HE3' HD22 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -102.58 11.86 37.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.86 111.693 -178.722 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.419 ' SD ' HD13 ' A' ' 4' ' ' LEU . 16.9 ttm -83.28 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.502 0.667 . . . . 1.68 109.871 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -126.93 48.43 2.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.608 -0.724 . . . . 1.95 109.284 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -53.37 123.45 12.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.913 -1.039 . . . . 1.41 111.002 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.32 25.76 1.86 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.849 -1.069 . . . . 1.45 108.387 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -137.27 25.76 2.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 113.885 -1.507 . . . . 1.78 107.275 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -35.1 104.09 0.03 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 113.519 -1.673 . . . . 1.1 114.248 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -126.91 -66.8 0.88 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.909 -1.041 . . . . 1.86 109.462 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.44 -34.8 12.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.087 0.47 . . . . 2.7 110.163 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.701 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 1.2 pm0 -60.73 -42.58 97.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.313 -0.858 . . . . 1.27 111.184 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.64 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -58.87 -39.55 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.18 -0.674 . . . . 1.5 109.18 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -43.57 55.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.768 -0.651 . . . . 2.57 109.985 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' HA ' ' B' ' 5' ' ' CYS . 0.1 OUTLIER -54.68 -54.53 40.54 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.184 -0.462 . . . . 1.47 111.449 179.081 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.06 64.27 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.819 0.343 . . . . 0.41 110.918 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.64 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -77.14 -38.37 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.144 -0.687 . . . . 0.75 109.144 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -72.07 -36.78 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 2.35 111.188 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.744 HG21 ' SG ' ' B' ' 5' ' ' CYS . 91.4 t -69.94 -37.27 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.375 -0.375 . . . . 0.47 110.201 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -79.39 -31.13 42.74 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.795 0.331 . . . . 0.47 111.358 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.23 87.61 5.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.8 110.559 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -77.51 -24.01 50.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 1.7 111.928 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -84.0 -20.2 33.22 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.262 -0.575 . . . . 0.67 110.773 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.45 65.91 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.099 -0.572 . . . . 0.72 113.09 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.3 -17.27 23.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.18 0.49 . . . . 0.72 110.964 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.61 3.96 59.44 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.583 -0.818 . . . . 0.58 113.356 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.25 117.81 23.01 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.566 -0.373 . . . . 1.57 110.456 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 mt -95.71 139.07 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.69 110.975 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.3 p -151.62 -168.34 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.637 -0.505 . . . . 1.14 109.637 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 8.94 1.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.948 0.88 . . . . 1.3 110.43 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -76.74 -81.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.828 -1.533 . . . . 0.93 110.292 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -76.24 -27.19 56.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.83 112.187 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.06 -39.76 93.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.466 0.65 . . . . 0.63 110.108 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.19 -42.32 90.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.579 -0.737 . . . . 1.18 111.099 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.52 -42.7 78.15 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.83 111.223 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 104' ' ' GLU . 45.2 t -64.07 -37.19 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.886 0.374 . . . . 0.53 110.091 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -41.78 93.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.86 109.914 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -72.81 -33.32 66.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.67 110.615 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -44.41 75.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.88 110.518 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.11 -27.79 64.87 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.93 110.551 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.78 35.6 24.64 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.238 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 164.76 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.697 0.284 . . . . 1.61 110.351 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -83.76 58.96 4.91 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.019 0.438 . . . . 1.18 111.134 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.633 HD11 ' HD2' ' B' ' 13' ' ' ARG . 5.8 mp -134.25 123.22 23.9 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.27 110.875 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.7 p -96.13 -170.47 2.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.171 -0.468 . . . . 1.04 109.912 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -55.95 -49.03 74.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.917 0.389 . . . . 1.38 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.72 -35.17 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.733 -0.667 . . . . 2.33 111.516 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.81 -34.87 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 1.86 111.166 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 117' ' ' THR . 59.3 t -65.32 -43.65 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.397 0.618 . . . . 0.76 109.789 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.26 -40.24 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.96 110.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.6 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 19.0 tp10 -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 1.2 110.164 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.756 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 17.4 ttt -66.98 -39.04 87.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.825 -0.625 . . . . 0.76 110.859 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -53.52 -28.25 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.071 0.463 . . . . 0.92 111.83 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.6 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 22.4 mtm105 -84.55 13.45 5.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 0.94 112.427 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.808 -0.812 . . . . 2.04 108.808 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.51 -19.15 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.96 110.759 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.459 ' HA ' ' OE2' ' A' ' 140' ' ' GLU . 5.4 t70 -73.78 99.36 3.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.295 0.569 . . . . 0.87 110.583 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.7 mm -99.24 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.696 -0.684 . . . . 1.01 111.498 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -76.14 -18.74 58.99 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.78 0.289 . . . . 1.02 111.78 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.74 46.32 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.899 -0.667 . . . . 0.94 111.44 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 -30.65 5.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.611 0.243 . . . . 0.95 110.774 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.59 -11.26 46.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.577 -0.82 . . . . 0.84 113.709 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.29 121.57 44.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.267 0.533 . . . . 1.26 110.236 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.22 113.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.148 -0.478 . . . . 0.69 110.238 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -95.4 174.52 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.451 -0.34 . . . . 0.97 110.586 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 142' ' ' VAL . 1.0 OUTLIER -49.67 -52.11 33.37 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 122.786 0.435 . . . . 1.35 111.911 -178.794 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.24 -48.04 74.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 2.6 111.019 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 144' ' ' MET . 43.1 mt-10 -65.19 -36.42 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.66 111.178 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.467 ' HE1' ' CE1' ' B' ' 12' ' ' TYR . 2.8 t80 -72.94 -43.12 62.73 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.12 -0.232 . . . . 0.88 110.636 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 138' ' ' TYR . 74.0 t -61.94 -50.55 79.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.183 0.516 . . . . 0.7 110.46 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.1 tt0 -62.21 -19.1 62.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.02 -0.991 . . . . 1.5 111.791 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 1.0 OUTLIER -104.27 -21.7 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.107 0.41 . . . . 0.89 112.107 -178.864 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 44.0 mmm -88.61 -54.0 4.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.275 -0.266 . . . . 1.47 110.972 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -81.07 -41.73 22.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 1.07 111.22 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.334 -0.394 . . . . 1.33 111.134 -179.691 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.637 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.185 -0.302 . . . . 2.55 110.185 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.491 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -28.56 -75.84 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.026 1.491 . . . . 1.88 115.026 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.599 ' SG ' HD21 ' A' ' 32' ' ' LEU . 72.6 m -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.398 0.518 . . . . 0.64 112.398 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 1.014 HD21 ' HG2' ' A' ' 71' ' ' MET . 6.4 mt -76.94 -42.86 37.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.169 0.433 . . . . 1.25 112.169 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.744 ' SG ' HG21 ' A' ' 91' ' ' VAL . 31.6 p -63.08 -25.81 68.54 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.353 -0.98 . . . . 0.61 108.353 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.711 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -65.84 -42.18 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.498 -1.297 . . . . 0.62 107.498 176.595 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 3' ' ' CYS . 41.9 t -63.45 -45.22 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.539 -0.755 . . . . 0.57 109.832 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -67.53 -36.67 81.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.063 -0.517 . . . . 0.63 110.424 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.607 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.2 m -65.36 -34.95 79.52 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.81 -0.811 . . . . 0.83 108.81 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -69.22 -35.19 75.92 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.801 -0.636 . . . . 2.03 109.59 178.598 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -68.44 -48.7 63.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.2 -0.667 . . . . 1.32 109.2 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.467 ' CE1' ' HE1' ' A' ' 141' ' ' PHE . 72.1 t80 -61.42 -41.75 97.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.358 -0.837 . . . . 1.21 108.868 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.756 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -70.4 -15.16 62.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.497 -0.774 . . . . 3.1 110.604 179.17 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 2.1 t80 -90.27 -23.57 21.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.775 -0.648 . . . . 1.47 109.435 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' B' ' 15' ' ' GLN . 0.5 OUTLIER -74.47 -22.15 59.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.347 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -35.54 81.35 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.384 -0.969 . . . . 2.65 108.384 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -76.58 76.8 3.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.605 -1.179 . . . . 4.01 110.071 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -161.53 -34.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.462 -0.495 . . . . 3.44 112.194 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.722 -0.656 . . . . 4.48 110.783 -179.854 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.897 -0.409 . . . . 1.71 109.897 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.93 129.46 39.8 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.539 -0.3 . . . . 1.25 110.639 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.96 -37.79 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.97 111.364 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp0 -60.42 -45.54 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 1.98 110.724 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -60.17 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.759 -0.46 . . . . 1.62 109.759 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.91 -40.94 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.704 -0.68 . . . . 1.13 110.604 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.47 86.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.995 0.426 . . . . 0.74 110.824 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 56.9 mt-10 -67.69 -47.58 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 1.57 109.973 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 19.3 m-85 -63.66 -32.01 73.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.379 -0.373 . . . . 1.85 111.046 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -56.24 -37.79 70.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.293 -0.632 . . . . 1.5 109.293 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.85 -39.46 72.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.236 -0.893 . . . . 1.64 110.228 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -47.19 86.77 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.304 -0.628 . . . . 0.51 109.304 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -35.8 71.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.175 -0.92 . . . . 1.23 109.974 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -70.68 -23.12 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.663 -0.699 . . . . 0.77 111.816 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -90.34 -31.99 16.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.461 -0.496 . . . . 1.43 110.225 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -72.16 -45.11 61.75 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.275 0.56 . . . . 0.56 110.221 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.88 143.71 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.501 -0.772 . . . . 0.54 111.504 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -139.86 14.57 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.73 110.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -123.84 -20.43 5.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.887 0.328 . . . . 0.57 111.887 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.5 21.0 59.12 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.147 -0.549 . . . . 0.59 112.387 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -22.62 20.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.373 -0.487 . . . . 0.58 110.365 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.19 5.71 65.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.647 -0.787 . . . . 0.74 113.14 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 143.56 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.108 0.454 . . . . 0.47 111.004 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.806 HG21 HG13 ' A' ' 63' ' ' ILE . 1.9 mt -76.09 140.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.41 110.391 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -128.18 -179.12 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.3 -0.63 . . . . 0.41 109.3 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -37.91 31.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.624 0.726 . . . . 0.6 110.934 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -74.61 -26.85 60.18 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.403 -0.817 . . . . 2.22 111.939 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -75.01 -50.43 16.58 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.09 0.472 . . . . 0.42 110.505 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.3 mp -67.07 -38.0 85.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.5 111.154 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.89 -34.04 70.42 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.789 -0.719 . . . . 0.5 112.144 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.8 m -63.59 -40.14 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.761 -0.459 . . . . 0.6 109.761 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.46 -45.03 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.943 0.401 . . . . 0.63 111.015 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.512 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -67.57 -11.85 59.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 1.07 110.432 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -82.54 -41.59 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.735 -0.839 . . . . 1.82 108.735 179.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . 0.537 ' HB2' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -71.24 -15.37 62.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.8 110.996 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -79.46 -1.85 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.139 -0.482 . . . . 0.86 110.962 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.28 25.12 27.11 Favored Glycine 0 CA--C 1.503 -0.661 0 C-N-CA 121.065 -0.588 . . . . 0.89 112.277 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.547 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 37.1 mt-30 -127.94 144.76 51.1 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 1.25 109.444 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -134.64 90.87 22.33 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.415 -0.587 . . . . 1.37 109.415 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 19.7 Cg_endo -89.57 153.7 5.27 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.722 2.948 . . . . 0.74 112.8 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.69 174.31 8.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.089 -0.338 . . . . 1.04 110.089 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -56.15 -27.23 53.43 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.682 0.277 . . . . 2.18 110.791 179.447 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' ASP . . . -70.51 -39.61 74.02 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.206 0.527 . . . . 0.63 109.642 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.42 -40.53 61.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.768 -0.651 . . . . 1.57 110.195 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 52' ' ' ILE . 54.2 mt -64.98 -22.03 66.94 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.562 -0.744 . . . . 0.64 110.955 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 1.5 tp-100 -90.08 -42.92 10.83 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.36 -0.978 . . . . 1.26 108.36 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.5 t70 -59.06 -41.98 89.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.749 -1.114 . . . . 1.38 110.228 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.2 mmt -54.06 -49.39 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.35 -0.841 . . . . 1.38 111.269 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 48' ' ' LEU . 19.1 mm -68.23 -31.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 0.48 111.541 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.17 -27.21 66.94 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.443 0.64 . . . . 1.4 111.776 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 12.1 mm-40 -82.39 6.98 15.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.886 -0.597 . . . . 2.84 111.283 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.706 HG11 HD13 ' A' ' 63' ' ' ILE . 90.3 t -130.51 -41.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.644 0.735 . . . . 0.82 109.493 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 7.8 t70 -70.18 135.36 49.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.902 -1.045 . . . . 0.55 110.562 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.9 -14.98 3.46 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.01 -0.541 . . . . 0.68 110.813 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.512 ' OD1' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -79.73 -23.63 42.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.74 110.257 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 40.36 4.95 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.794 -0.717 . . . . 0.9 112.232 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -120.05 -23.61 6.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 0.6 110.496 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 73.3 52.47 8.66 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.971 -0.633 . . . . 0.52 112.371 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.1 m -160.14 126.05 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.411 0.284 . . . . 0.57 110.529 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.806 HG13 HG21 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.49 102.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.115 -0.698 . . . . 0.46 109.115 178.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.2 p30 -106.1 178.64 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.52 110.194 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.08 -48.25 70.94 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 112.842 0.682 . . . . 1.15 112.842 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -54.28 -45.41 41.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 121.873 1.716 . . . . 0.63 112.245 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -75.83 -30.08 58.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.953 -0.388 . . . . 0.51 109.953 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.598 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.0 t80 -59.9 -40.98 90.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.969 -0.56 . . . . 1.44 110.5 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.29 -54.6 19.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.89 111.746 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -60.47 -47.78 84.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.327 0.584 . . . . 0.74 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.758 ' HG3' HD22 ' B' ' 4' ' ' LEU . 1.6 ttp -60.77 -40.88 94.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.01 -0.996 . . . . 0.71 110.733 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.598 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 4.5 tmm? -66.03 -57.16 8.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 1.69 110.35 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.99 -28.07 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.116 -0.493 . . . . 0.63 111.439 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.735 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -76.11 -15.61 60.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.224 0.453 . . . . 1.45 112.224 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' NZ ' ' HG ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -113.17 -34.24 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.274 -0.57 . . . . 0.86 112.149 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.594 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 7.5 tmm? -61.75 -40.69 96.02 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.649 0.262 . . . . 1.68 110.324 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -112.12 20.96 16.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.71 0.29 . . . . 1.95 110.777 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.735 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.3 t70 -69.04 135.41 50.8 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.246 0.546 . . . . 1.41 111.678 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.46 21.66 1.18 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.163 -0.926 . . . . 1.45 109.866 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.96 26.89 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.376 -0.972 . . . . 1.78 108.376 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -41.59 124.01 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 113.365 -1.743 . . . . 1.1 114.014 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -121.7 -46.86 2.22 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.138 0.494 . . . . 1.86 109.693 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.299 -0.41 . . . . 2.7 110.916 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 2.0 pm0 -53.14 -37.37 61.75 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.63 0.581 . . . . 1.27 110.985 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.651 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 45.1 mt -53.97 -49.97 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 121.338 0.59 . . . . 1.5 109.92 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -47.47 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.347 -0.842 . . . . 2.57 110.589 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' OE2' ' HG2' ' B' ' 1' ' ' MET . 3.2 tt0 -48.41 -62.25 1.59 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.735 -0.666 . . . . 1.47 112.113 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -21.14 65.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 111.732 0.271 . . . . 0.41 111.732 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.651 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.39 -37.52 65.94 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 109.629 -0.508 . . . . 0.75 109.629 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -75.98 -28.94 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 2.35 110.245 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.74 HG21 ' SG ' ' B' ' 5' ' ' CYS . 79.8 t -74.1 -37.27 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.051 0.453 . . . . 0.47 109.976 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -82.97 -48.06 11.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.902 -0.59 . . . . 0.47 111.073 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.36 111.32 16.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.271 0.557 . . . . 0.8 109.791 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 38.4 tttm -97.41 -31.29 12.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.799 -0.637 . . . . 1.7 111.864 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -75.2 -19.21 59.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.318 . . . . 0.67 110.54 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.09 78.51 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.819 -0.705 . . . . 0.72 112.198 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.525 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -85.53 -18.52 33.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.493 0.187 . . . . 0.72 110.876 -178.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.8 27.16 24.92 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.589 -0.815 . . . . 0.58 113.426 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HB2' HD21 ' A' ' 97' ' ' ASN . 12.5 m-85 -144.69 113.16 6.61 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.909 0.385 . . . . 1.57 110.263 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 33.5 mt -89.75 139.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.588 . . . . 0.69 111.071 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 103' ' ' ALA . 4.2 p -152.55 -170.71 3.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.274 -0.269 . . . . 1.14 110.274 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.63 9.81 1.3 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.644 1.211 . . . . 1.3 109.414 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -82.1 -77.28 0.23 Allowed 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.341 -1.754 . . . . 0.93 109.631 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.9 mt-10 -80.89 -32.55 34.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.461 -0.79 . . . . 0.83 113.006 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.489 HD23 HG13 ' A' ' 121' ' ' VAL . 1.3 tp -59.22 -40.55 86.22 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.21 0.528 . . . . 0.63 110.697 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -57.29 -43.36 83.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.895 -1.048 . . . . 1.18 110.254 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.18 -47.27 86.94 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.83 110.732 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 104' ' ' GLU . 5.9 t -62.13 -46.5 96.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 111.82 0.304 . . . . 0.53 111.82 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.38 92.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.793 0.33 . . . . 0.86 111.215 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -71.88 -26.52 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.67 110.612 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASN . . . . . 0.537 ' OD1' ' HB2' ' A' ' 38' ' ' SER . 1.2 t-20 -79.56 -45.65 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.507 -0.315 . . . . 0.88 110.789 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.89 -43.91 97.88 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.297 0.57 . . . . 0.93 110.391 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.05 33.76 1.6 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.177 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.445 ' OE2' ' HD3' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -77.6 157.69 30.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.142 0.496 . . . . 1.61 110.692 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -90.53 28.25 1.53 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.963 -0.562 . . . . 1.18 110.962 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -109.04 122.94 48.33 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.187 0.44 . . . . 1.27 112.187 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 -171.95 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 1.04 109.737 177.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.51 -45.34 94.16 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.864 0.32 . . . . 1.38 111.864 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.26 -33.78 76.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.847 0.356 . . . . 2.33 110.671 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.17 -33.31 63.43 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.512 -0.767 . . . . 1.86 108.985 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.489 HG13 HD23 ' A' ' 105' ' ' LEU . 3.5 t -65.41 -44.79 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.76 109.349 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.59 -47.07 77.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.836 0.351 . . . . 0.96 110.24 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -57.45 -40.62 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 1.2 110.484 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.735 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 10.7 ttt -69.92 -44.53 69.45 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.433 -0.349 . . . . 0.76 110.903 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.91 -28.66 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 120.993 0.425 . . . . 0.92 111.442 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.13 17.67 0.75 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.484 0.55 . . . . 0.94 112.484 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -40.26 12.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.498 -0.556 . . . . 2.04 109.498 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.45 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -101.98 -22.64 14.25 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.947 -0.569 . . . . 0.96 111.244 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.49 103.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.153 -0.476 . . . . 0.87 109.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 128' ' ' ALA . 23.1 mm -97.36 -28.36 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.974 -0.557 . . . . 1.01 111.199 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -75.88 -22.65 55.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.904 0.383 . . . . 1.02 111.758 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.89 29.33 54.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.634 -0.793 . . . . 0.94 111.552 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.87 -19.27 19.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.73 0.3 . . . . 0.95 110.514 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.95 7.8 67.85 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.007 -0.616 . . . . 0.84 113.358 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.428 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 80.3 mt-30 -132.27 111.03 11.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.663 0.268 . . . . 1.26 110.385 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.0 t -72.38 119.09 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.908 -0.404 . . . . 0.69 109.908 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' ASN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 28.4 p30 -96.72 -175.09 3.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.97 110.423 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.453 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -58.5 -51.79 68.36 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.569 -0.287 . . . . 1.35 111.704 -178.836 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 5.8 mp0 -57.8 -48.04 80.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 2.6 111.527 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.52 -38.18 77.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.66 111.537 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.58 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 7.4 t80 -74.71 -35.25 62.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.88 110.598 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 138' ' ' TYR . 53.5 t -63.62 -42.49 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.93 0.395 . . . . 0.7 109.999 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.533 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 80.1 mt-30 -67.73 -4.12 11.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.113 -0.494 . . . . 1.5 111.342 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.452 ' HE2' ' CE1' ' B' ' 12' ' ' TYR . 4.1 mmm -111.4 -32.14 6.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.89 111.472 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.89 -50.57 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.923 -0.485 . . . . 1.47 111.01 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -79.73 -30.97 41.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.076 -0.511 . . . . 1.07 111.46 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.673 0.273 . . . . 1.33 110.64 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.434 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 4.2 ttt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 122.474 1.13 . . . . 2.55 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.477 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.81 -55.2 15.08 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.763 -1.562 . . . . 1.88 112.06 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.808 ' SG ' HD21 ' A' ' 32' ' ' LEU . 32.9 m -61.86 -33.04 73.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.528 -0.306 . . . . 0.64 111.348 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.758 HD22 ' HG3' ' A' ' 71' ' ' MET . 2.0 tp -75.79 -41.43 52.93 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.361 -0.381 . . . . 1.25 111.949 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.74 ' SG ' HG21 ' A' ' 91' ' ' VAL . 14.3 p -64.49 -25.5 68.02 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.801 -0.814 . . . . 0.61 108.801 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.77 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.84 -40.41 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 107.221 -1.4 . . . . 0.62 107.221 176.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 3' ' ' CYS . 19.4 t -65.11 -42.28 93.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.262 -0.881 . . . . 0.57 109.28 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.509 ' OG1' ' HG2' ' A' ' 75' ' ' LYS . 4.3 m -66.88 -40.41 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.457 0.646 . . . . 0.63 109.992 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.0 m -63.45 -37.91 89.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.766 -0.827 . . . . 0.83 108.766 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.27 93.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 2.03 109.865 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' OE1' ' B' ' 15' ' ' GLN . 8.0 tttt -63.36 -51.19 66.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.203 -0.666 . . . . 1.32 109.203 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.58 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 56.5 t80 -60.82 -37.22 81.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.21 110.089 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.735 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -80.52 -9.99 59.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.126 -0.488 . . . . 3.1 111.176 179.279 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -94.62 -15.46 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.47 109.757 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.464 ' OE1' ' HE2' ' B' ' 11' ' ' LYS . 0.1 OUTLIER -87.75 -10.19 51.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.795 -0.639 . . . . 1.41 110.041 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -61.27 -33.57 73.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.817 -0.629 . . . . 2.65 111.425 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -109.15 45.66 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.458 0.646 . . . . 4.01 110.533 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -85.06 -58.68 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.144 0.497 . . . . 3.44 109.841 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.389 -0.815 . . . . 4.48 109.622 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.6 tp . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.958 -0.386 . . . . 1.71 109.958 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.94 121.03 5.42 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.137 0.273 . . . . 1.25 110.756 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.44 -33.82 63.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.726 0.641 . . . . 1.97 111.164 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.607 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.8 mp0 -54.38 -46.56 73.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.127 -0.488 . . . . 1.98 110.168 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.19 -46.83 87.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.719 -0.475 . . . . 1.62 109.719 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -52.95 -45.45 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.162 -0.472 . . . . 1.13 110.201 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -64.69 -29.61 70.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.465 -0.788 . . . . 0.74 111.081 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 48.7 mt-10 -74.98 -50.21 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.39 -0.368 . . . . 1.57 110.287 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CZ ' HG13 ' B' ' 7' ' ' VAL . 65.6 m-85 -60.24 -23.04 63.74 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.375 -0.375 . . . . 1.85 110.878 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 2.0 ttpt -51.84 -39.96 59.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.67 -0.695 . . . . 1.5 109.553 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.96 -34.46 73.44 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.425 -0.807 . . . . 1.64 110.452 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -63.67 -50.05 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.51 110.164 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -27.73 68.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.043 -0.354 . . . . 1.23 110.043 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -80.51 -9.13 59.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.77 110.969 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 15' ' ' ALA . 1.6 pp -105.65 -39.35 6.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.894 -0.41 . . . . 1.43 109.894 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' B' ' 6' ' ' ILE . 15.7 m-85 -68.35 -41.16 81.1 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.939 -0.393 . . . . 0.56 109.939 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.66 140.2 39.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.864 -0.607 . . . . 0.54 110.679 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 26.6 mmtm -138.83 20.58 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 0.73 111.441 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -127.83 -26.11 2.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.835 0.309 . . . . 0.57 111.835 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.21 12.64 56.02 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.885 -0.674 . . . . 0.59 112.675 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.7 -27.22 27.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.455 . . . . 0.58 109.993 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 19.05 48.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.571 -0.823 . . . . 0.74 113.889 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.64 146.32 45.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 117.307 0.554 . . . . 0.47 110.373 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.588 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.2 mp -80.04 134.4 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.41 111.2 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.7 p -124.92 176.15 6.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.483 -0.932 . . . . 0.41 108.483 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -78.39 -37.23 44.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.531 0.681 . . . . 0.6 109.4 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.099 -0.955 . . . . 2.22 112.411 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.2 mt-10 -71.64 -57.3 4.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 121.979 -0.451 . . . . 0.42 111.231 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -60.88 -35.91 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.911 -0.586 . . . . 0.5 110.53 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.65 97.14 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.833 -0.621 . . . . 0.5 111.951 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -34.18 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.781 0.324 . . . . 0.6 110.873 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.47 -38.57 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.763 0.315 . . . . 0.63 110.71 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.519 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -74.57 -11.2 60.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.473 . . . . 1.07 110.553 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 21.7 ttp180 -77.63 -44.8 27.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.126 -0.694 . . . . 1.82 109.126 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -7.72 41.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.642 -0.708 . . . . 0.8 111.641 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.69 -1.65 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.86 109.931 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.51 7.05 62.12 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.616 -0.802 . . . . 0.89 111.159 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.3 mm100 -108.75 141.61 40.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.15 -0.525 . . . . 1.25 110.232 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -132.18 77.61 70.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.67 -0.493 . . . . 1.37 109.67 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 73.3 Cg_endo -80.98 159.55 20.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.402 2.068 . . . . 0.74 112.031 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -100.09 174.72 6.03 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.94 -0.573 . . . . 1.04 109.972 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 48' ' ' LEU . 4.7 mm-40 -51.89 -23.7 5.26 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.675 0.62 . . . . 2.18 112.675 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.37 -41.53 63.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.552 0.691 . . . . 0.63 109.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 43' ' ' PRO . 11.7 mp0 -81.13 -40.17 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.447 -0.797 . . . . 1.57 109.672 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' GLU . 37.3 mt -54.25 -45.49 72.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.777 -0.647 . . . . 0.64 111.899 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.6 -24.89 45.19 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.861 -0.335 . . . . 1.26 110.258 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.4 -43.18 96.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.213 0.53 . . . . 1.38 109.812 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.509 ' SD ' ' HG2' ' B' ' 1' ' ' MET . 21.6 mmt -63.75 -45.0 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.333 -0.848 . . . . 1.38 110.513 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.426 HG23 HG13 ' A' ' 63' ' ' ILE . 15.4 mm -66.12 -37.91 80.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 0.48 110.421 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.63 -31.74 72.65 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.155 -0.475 . . . . 1.4 110.862 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -63.06 -36.2 82.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.076 -0.511 . . . . 2.84 109.669 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.749 HG22 HD23 ' B' ' 4' ' ' LEU . 4.7 t -83.83 -36.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 0.82 110.9 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 2.8 t70 -65.39 129.2 38.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.55 112.107 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.6 -15.91 5.93 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.436 -0.802 . . . . 0.68 110.368 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -83.3 -28.27 29.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.758 -0.377 . . . . 0.74 110.696 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.82 33.06 5.68 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.616 -0.802 . . . . 0.9 112.403 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -108.42 -26.9 10.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.554 -0.38 . . . . 0.6 111.119 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.405 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.84 39.2 8.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.52 112.472 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.2 m -159.84 135.06 8.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.411 0.285 . . . . 0.57 110.379 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 8.4 mt -72.77 100.96 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.386 -0.598 . . . . 0.46 109.386 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 1.6 p30 -99.52 -174.89 2.84 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.276 -0.42 . . . . 0.52 111.155 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.83 -47.95 30.92 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 112.578 0.585 . . . . 1.15 112.578 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 76.8 Cg_exo -54.42 -43.77 55.7 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.973 1.782 . . . . 0.63 112.162 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -72.89 -26.8 61.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.349 -0.387 . . . . 0.51 110.179 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.08 -43.52 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 1.44 110.488 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.93 -48.95 67.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.695 -0.684 . . . . 0.89 110.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 m -62.24 -44.48 96.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.125 -0.488 . . . . 0.74 110.668 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.799 ' HG3' HD22 ' B' ' 4' ' ' LEU . 19.1 ttp -56.64 -37.1 70.3 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.56 0.695 . . . . 0.71 110.365 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.582 ' HA ' HG11 ' B' ' 7' ' ' VAL . 34.7 ttm -72.45 -41.4 66.16 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.195 -0.911 . . . . 1.69 110.0 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.1 -38.23 90.04 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.286 -0.415 . . . . 0.63 111.4 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 7.6 ttm180 -66.02 -7.96 20.27 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' CE ' HD12 ' B' ' 4' ' ' LEU . 1.4 tppt? -124.24 -30.2 3.47 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.186 0.439 . . . . 0.86 112.186 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.616 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 8.4 ttm -55.24 -32.84 62.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.143 0.497 . . . . 1.68 110.574 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.616 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 32.8 mtmt -134.49 32.74 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 1.95 110.433 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.6 t70 -68.11 107.77 2.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.01 0.433 . . . . 1.41 110.117 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.7 p -130.33 11.93 5.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.319 0.58 . . . . 1.45 110.598 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -136.09 36.43 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.347 -0.983 . . . . 1.78 108.347 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -36.8 110.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.844 -1.526 . . . . 1.1 114.294 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -84.03 -69.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.089 -1.078 . . . . 1.86 108.089 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -119.84 -5.21 10.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.322 -0.992 . . . . 2.7 108.322 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -50.57 -51.01 52.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.601 -1.181 . . . . 1.27 112.565 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.2 pt -61.3 -33.25 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 1.5 110.71 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -48.36 56.71 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.992 -0.549 . . . . 2.57 109.86 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.57 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -52.0 -51.31 58.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.688 0.617 . . . . 1.47 110.716 178.123 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.55 66.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.739 0.304 . . . . 0.41 111.023 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -81.85 -35.46 29.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.985 0.421 . . . . 0.75 110.039 179.663 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -68.76 -33.55 74.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 2.35 110.261 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.755 HG21 ' SG ' ' B' ' 5' ' ' CYS . 84.7 t -78.83 -35.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.47 110.139 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.444 ' HZ ' HG23 ' B' ' 9' ' ' THR . 4.2 m-30 -79.68 -42.53 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.47 112.085 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.8 97.39 11.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.8 110.368 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -80.52 -26.98 37.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 1.7 112.324 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -80.86 -17.42 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.43 -0.508 . . . . 0.67 111.175 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.96 27.39 70.57 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.954 -0.641 . . . . 0.72 113.573 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.501 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.0 p-10 -92.94 -19.46 21.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.519 0.66 . . . . 0.72 111.975 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.77 4.35 56.93 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.483 -0.865 . . . . 0.58 113.159 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.501 ' HB2' HD21 ' A' ' 97' ' ' ASN . 79.8 m-85 -133.38 108.2 8.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.731 -0.47 . . . . 1.57 109.731 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.36 117.65 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.488 -0.56 . . . . 0.69 109.488 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.2 172.23 6.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 1.14 111.847 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.35 79.2 0.54 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.483 -0.78 . . . . 1.3 109.737 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 175.03 -48.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.284 -0.871 . . . . 0.93 110.956 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.81 -44.9 84.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.503 -0.771 . . . . 0.83 110.186 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.01 -35.2 80.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.428 -0.806 . . . . 0.63 109.005 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.1 mtt85 -57.78 -50.3 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.543 -0.753 . . . . 1.18 110.723 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -63.62 -54.52 34.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.83 110.957 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.1 t -54.65 -47.77 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 111.894 0.331 . . . . 0.53 111.894 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 0.86 111.584 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.2 m -79.45 -31.23 42.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.396 . . . . 0.67 110.846 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -45.19 78.19 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.88 110.446 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.53 -25.65 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.73 -0.668 . . . . 0.93 110.097 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 55.46 2.78 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.844 -0.694 . . . . 0.89 111.7 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.23 159.37 14.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.902 -0.407 . . . . 1.61 109.902 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.47 38.7 0.79 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.28 -0.418 . . . . 1.18 110.247 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 120' ' ' GLU . 1.3 mp -107.14 113.97 27.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.35 -0.387 . . . . 1.27 111.404 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.42 10.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.039 -0.528 . . . . 1.04 110.181 178.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.55 -52.02 50.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.729 0.64 . . . . 1.38 112.729 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -24.5 66.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.446 -0.343 . . . . 2.33 111.525 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' HB3' ' HG ' ' A' ' 116' ' ' LEU . 24.0 mm-40 -79.78 -34.56 39.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.86 110.33 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.7 -39.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.058 -0.719 . . . . 0.76 109.058 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.51 -40.86 93.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.38 -0.827 . . . . 0.96 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -61.14 -39.37 89.8 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.038 -0.727 . . . . 1.2 109.038 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.645 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.1 ttt -67.99 -39.26 83.3 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.26 -0.882 . . . . 0.76 109.412 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -55.21 -24.4 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.523 -0.762 . . . . 0.92 111.882 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.416 ' HA ' ' CB ' ' A' ' 129' ' ' ASP . 21.8 mtm105 -99.05 7.21 46.15 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.608 0.596 . . . . 0.94 112.608 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.635 ' OE2' ' HG3' ' A' ' 124' ' ' MET . 10.0 pt-20 -70.24 -41.44 73.52 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.461 -0.496 . . . . 2.04 109.95 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' HA ' ' HG3' ' A' ' 144' ' ' MET . . . -104.08 -7.29 20.36 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.96 110.969 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 4.6 t70 -76.19 100.95 5.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.547 -0.751 . . . . 0.87 110.118 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 mm -99.21 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.555 -0.748 . . . . 1.01 111.154 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -86.27 -28.51 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.449 -0.341 . . . . 1.02 110.345 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.64 48.87 5.38 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.377 -0.689 . . . . 0.94 111.377 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -17.15 7.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.741 0.274 . . . . 0.95 111.741 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.61 3.45 66.57 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.398 -0.906 . . . . 0.84 113.647 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -124.16 115.49 21.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.297 0.549 . . . . 1.26 110.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 141' ' ' PHE . 97.2 t -77.05 97.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.24 -0.652 . . . . 0.69 109.24 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 174.2 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.54 . . . . 0.97 110.377 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -53.86 -51.75 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.33 0.493 . . . . 1.35 112.33 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -65.21 -37.53 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.865 0.321 . . . . 2.6 111.865 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.626 ' O ' ' HB2' ' A' ' 144' ' ' MET . 19.1 mt-10 -63.08 -38.97 93.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.66 111.022 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' B' ' 12' ' ' TYR . 51.8 t80 -80.59 -37.27 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.255 -0.429 . . . . 0.88 111.399 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.2 t -61.22 -49.66 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.99 0.424 . . . . 0.7 110.923 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -78.72 1.11 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.052 -0.522 . . . . 1.5 112.213 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.626 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 2.0 tmm? -109.91 -38.2 5.41 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.494 -0.482 . . . . 0.89 112.103 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.643 ' SD ' HG22 ' B' ' 8' ' ' THR . 41.2 ttp -84.4 -44.9 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.253 -0.579 . . . . 1.47 110.802 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.5 m -71.9 -41.96 67.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.823 0.344 . . . . 1.07 111.427 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 1.33 110.912 -179.115 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.524 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 9.4 ptp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.787 0.327 . . . . 2.55 111.055 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.441 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.01 -72.46 0.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.182 0.515 . . . . 1.88 110.041 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.737 ' SG ' HD21 ' A' ' 32' ' ' LEU . 76.7 m -65.38 -24.53 67.25 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.809 0.814 . . . . 0.64 108.982 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.799 HD22 ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -66.36 -50.31 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.664 -1.153 . . . . 1.25 109.985 178.682 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.755 ' SG ' HG21 ' A' ' 91' ' ' VAL . 13.7 p -64.8 -24.07 67.44 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.692 -0.231 . . . . 0.61 110.851 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.77 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.19 -41.57 91.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.428 -0.953 . . . . 0.62 108.428 177.109 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 72' ' ' MET . 2.6 t -66.09 -38.06 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.607 -0.516 . . . . 0.57 109.607 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.643 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -69.54 -41.09 76.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.272 -0.422 . . . . 0.63 110.963 179.224 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 96.2 m -62.15 -33.27 74.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.481 -0.933 . . . . 0.83 108.481 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -68.68 -43.6 75.8 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.918 -1.037 . . . . 2.03 109.823 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -62.5 -45.81 91.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.186 -0.672 . . . . 1.32 109.186 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.525 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 90.3 t80 -62.99 -46.5 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.921 -0.581 . . . . 1.21 109.832 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.645 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -71.28 -11.87 61.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.935 -0.575 . . . . 3.1 111.15 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -102.04 -9.06 20.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.935 -0.575 . . . . 1.47 109.855 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 144' ' ' MET . 6.1 tp60 -74.73 -38.45 62.27 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.279 -0.873 . . . . 1.41 109.798 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.84 -37.79 66.61 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.526 0.679 . . . . 2.65 109.727 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.04 87.75 3.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.404 -0.816 . . . . 4.01 109.316 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -158.03 -55.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.926 -0.579 . . . . 3.44 110.753 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.68 -0.691 . . . . 4.48 110.408 179.345 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.844 0.354 . . . . 1.71 110.209 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 132.98 49.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 1.25 112.079 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.75 -26.53 65.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.814 -0.63 . . . . 1.97 111.557 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 19.2 mp0 -59.19 -47.99 83.29 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.024 -0.732 . . . . 1.98 109.024 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.61 -44.74 95.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.512 -0.767 . . . . 1.62 109.661 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.9 -43.94 36.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.116 -0.493 . . . . 1.13 110.357 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -66.87 -31.77 72.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.74 111.081 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 74.5 mt-10 -72.1 -49.25 37.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 1.57 110.477 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -60.36 -29.34 68.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.461 -0.336 . . . . 1.85 110.529 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttpt -55.79 -40.24 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.237 -0.653 . . . . 1.5 109.237 176.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -69.89 -37.67 76.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.659 . . . . 1.64 109.591 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.707 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -61.83 -51.84 66.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.466 -0.788 . . . . 0.51 109.999 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -32.79 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 1.23 110.098 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 m -71.52 -18.5 62.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.612 -0.722 . . . . 0.77 111.645 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -93.68 -39.03 11.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.21 -0.596 . . . . 1.43 110.486 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.715 ' CE2' HD12 ' B' ' 6' ' ' ILE . 29.4 m-85 -69.06 -40.38 78.56 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.56 110.451 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.27 138.5 34.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.54 110.744 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -141.24 8.53 2.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.168 -0.469 . . . . 0.73 111.188 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -112.95 -17.93 12.35 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.824 0.305 . . . . 0.57 111.824 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 11.67 68.12 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.292 -0.956 . . . . 0.59 112.26 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -27.88 25.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.58 110.196 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.9 5.1 68.63 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.8 -0.714 . . . . 0.74 114.215 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.1 158.61 30.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.231 0.515 . . . . 0.47 110.581 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.564 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.5 mp -90.09 127.56 42.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.119 0.485 . . . . 0.41 111.921 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.3 p -119.45 173.85 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.886 -0.783 . . . . 0.41 108.886 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -80.79 -27.49 36.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.628 0.727 . . . . 0.6 109.872 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -67.44 -38.49 84.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.617 -1.174 . . . . 2.22 112.256 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.9 mt-10 -75.61 -54.48 6.91 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.701 0.63 . . . . 0.42 112.701 -177.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD21 ' SG ' ' B' ' 3' ' ' CYS . 10.1 mp -62.61 -34.72 77.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.5 110.619 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.55 91.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.927 -0.654 . . . . 0.5 112.155 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.3 m -63.23 -37.36 86.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.777 0.322 . . . . 0.6 111.076 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.1 -41.38 67.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.417 0.627 . . . . 0.63 110.324 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.2 ttm -65.35 -11.19 39.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.404 -0.816 . . . . 1.07 111.042 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 8.9 ttp180 -85.57 -40.69 16.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.489 -0.778 . . . . 1.82 109.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -69.12 -11.43 60.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.456 -0.793 . . . . 0.8 111.418 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.57 12.94 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.154 0.502 . . . . 0.86 109.789 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.26 25.09 71.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.782 -0.644 . . . . 0.89 112.053 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 46.2 mt-30 -122.47 137.37 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 1.25 109.976 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.34 81.36 37.95 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.863 -0.792 . . . . 1.37 108.863 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -82.17 138.5 10.1 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.392 2.728 . . . . 0.74 112.007 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 p -75.05 169.55 17.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 1.04 110.258 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -47.68 -49.14 28.56 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.267 0.354 . . . . 2.18 111.891 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.55 94.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 111.828 0.307 . . . . 0.63 111.828 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.24 -39.25 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.377 -0.601 . . . . 1.57 109.377 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 52' ' ' ILE . 72.1 mt -66.78 -25.33 66.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.92 -0.582 . . . . 0.64 110.825 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.47 -37.71 19.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.334 -0.617 . . . . 1.26 109.334 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 23.8 t70 -55.52 -37.96 68.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.267 -0.879 . . . . 1.38 109.197 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.85 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.533 -0.758 . . . . 1.38 109.741 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 48' ' ' LEU . 14.1 mm -64.55 -38.93 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.48 110.069 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.42 -30.02 66.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.791 -0.641 . . . . 1.4 110.62 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.571 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 6.4 mm-40 -63.25 -27.25 69.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 2.84 111.871 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.653 HG13 ' SD ' ' B' ' 1' ' ' MET . 1.8 m -119.84 23.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.962 0.41 . . . . 0.82 110.693 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.54 113.91 19.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.55 110.155 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.39 -6.92 8.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.007 -0.542 . . . . 0.68 110.547 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -81.45 -19.5 42.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.332 -0.618 . . . . 0.74 109.332 178.657 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 19.44 48.73 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.626 -0.716 . . . . 0.9 114.209 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.481 HD21 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -100.95 -18.63 16.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.301 0.55 . . . . 0.6 110.971 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.06 51.57 10.1 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.737 -0.744 . . . . 0.52 112.354 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' HD21 ' A' ' 60' ' ' ASN . 90.4 m -164.53 135.16 4.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.603 0.361 . . . . 0.57 110.144 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.564 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 13.1 mt -74.0 101.32 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.4 -0.963 . . . . 0.46 108.4 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.71 179.32 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.512 -0.313 . . . . 0.52 111.255 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -69.59 -48.34 24.06 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.244 0.461 . . . . 1.15 112.244 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.26 -51.64 9.15 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.026 1.817 . . . . 0.63 112.066 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.43 -31.21 68.31 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.116 -0.493 . . . . 0.51 111.059 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' MET . 60.9 t80 -62.17 -37.44 85.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.074 -0.512 . . . . 1.44 110.371 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.38 -53.03 55.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.633 -0.712 . . . . 0.89 110.94 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -37.96 75.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.74 111.201 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.788 ' HG2' HD13 ' B' ' 4' ' ' LEU . 7.7 ttp -62.86 -42.29 99.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.71 110.392 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG2' HG21 ' B' ' 7' ' ' VAL . 3.4 tmm? -70.97 -42.96 69.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.992 -0.549 . . . . 1.69 110.726 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.04 69.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.369 0.604 . . . . 0.63 110.576 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 mtm180 -78.87 1.15 24.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.117 -0.947 . . . . 1.45 111.583 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.68 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -128.26 -20.23 3.76 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.859 -0.337 . . . . 0.86 111.619 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.491 ' SD ' ' HG3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -60.97 -47.51 86.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.059 0.457 . . . . 1.68 111.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HG3' ' SD ' ' A' ' 76' ' ' MET . 40.7 mtmt -127.29 30.68 5.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.446 -0.576 . . . . 1.95 109.446 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.665 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 t0 -62.43 126.75 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.799 -0.637 . . . . 1.41 111.692 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 22.87 0.76 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.718 -1.128 . . . . 1.45 108.942 177.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -145.65 34.5 1.04 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.507 -0.769 . . . . 1.78 111.153 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -89.41 172.72 8.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.847 1.055 . . . . 1.1 113.847 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -136.38 -51.43 0.7 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.682 -1.145 . . . . 1.86 109.634 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -91.35 -30.01 16.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.875 -0.602 . . . . 2.7 111.62 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -54.82 -37.68 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 1.27 111.757 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.539 HG21 HG22 ' A' ' 142' ' ' VAL . 12.5 mt -57.37 -45.33 85.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.194 0.521 . . . . 1.5 111.095 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.62 -42.6 91.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.97 -0.559 . . . . 2.57 109.986 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' B' ' 1' ' ' MET . 0.5 OUTLIER -46.25 -64.79 0.67 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.073 0.858 . . . . 1.47 112.002 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -24.52 66.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 111.793 0.294 . . . . 0.41 111.793 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -70.74 -42.83 70.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.53 -0.468 . . . . 0.75 110.166 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -74.53 -18.86 60.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.552 -0.749 . . . . 2.35 111.369 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.813 HG21 ' SG ' ' B' ' 5' ' ' CYS . 72.0 t -77.39 -33.53 19.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.409 -0.589 . . . . 0.47 109.409 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -88.37 -42.75 11.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.47 111.027 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.9 100.58 11.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.953 -0.567 . . . . 0.8 110.185 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -86.82 -29.15 22.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.046 -0.524 . . . . 1.7 112.055 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -75.01 -21.45 59.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.324 -0.55 . . . . 0.67 111.007 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.95 16.17 77.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.981 -0.628 . . . . 0.72 111.923 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -13.9 48.73 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.624 0.25 . . . . 0.72 110.549 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 37.27 18.29 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.661 -0.781 . . . . 0.58 113.352 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -149.96 109.69 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.554 0.342 . . . . 1.57 110.112 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ILE . . . . . 0.66 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 46.6 mt -80.19 135.49 25.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.444 0.164 . . . . 0.69 111.161 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 103' ' ' ALA . 75.1 p -144.48 177.73 8.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.04 -0.356 . . . . 1.14 110.04 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.01 3.59 5.21 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.257 1.027 . . . . 1.3 110.341 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.09 -72.09 0.42 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.242 -1.799 . . . . 0.93 108.37 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.1 mt-10 -72.27 -35.51 68.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.043 -0.98 . . . . 0.83 112.161 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.528 HD23 HG13 ' A' ' 121' ' ' VAL . 24.1 tp -61.69 -37.35 83.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.897 0.379 . . . . 0.63 111.665 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 106' ' ' ARG . 28.5 ttm180 -63.63 -36.77 84.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.445 . . . . 1.18 110.183 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -69.06 -42.62 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.83 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 104' ' ' GLU . 19.7 t -71.21 -44.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.427 0.528 . . . . 0.53 112.427 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.12 86.67 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.901 0.382 . . . . 0.86 111.217 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 m -72.19 -23.55 61.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 0.67 110.237 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -78.07 -44.69 25.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.88 110.435 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . 0.431 ' O ' HD22 ' A' ' 18' ' ' LEU . 59.7 mt -63.72 -33.46 75.7 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.989 -0.551 . . . . 0.93 110.431 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.33 35.06 7.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.604 -0.808 . . . . 0.89 111.554 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 166.36 14.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 1.61 110.656 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 78.33 6.9 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.354 -0.61 . . . . 1.18 109.354 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.412 ' HG ' ' CB ' ' A' ' 120' ' ' GLU . 4.2 tp -150.63 117.33 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 1.27 109.968 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.91 -175.88 4.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.228 -0.286 . . . . 1.04 110.228 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.69 -44.06 97.0 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.727 0.299 . . . . 1.38 111.596 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -32.01 73.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 2.33 110.497 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' CB ' ' HG ' ' A' ' 116' ' ' LEU . 30.9 mm-40 -72.43 -41.34 66.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.362 -0.835 . . . . 1.86 109.647 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 HD23 ' A' ' 105' ' ' LEU . 24.5 t -58.94 -41.9 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.39 -0.823 . . . . 0.76 110.439 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.97 -42.16 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.359 . . . . 0.96 110.198 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.52 -46.34 86.97 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.198 0.523 . . . . 1.2 110.15 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.754 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 19.6 ttt -70.8 -34.88 72.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.267 -0.879 . . . . 0.76 110.417 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 -31.54 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.92 111.161 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.1 mtm105 -86.77 16.03 5.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.075 0.398 . . . . 0.94 112.075 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.596 ' OE1' ' HG3' ' A' ' 124' ' ' MET . 11.1 pt-20 -76.58 -48.05 20.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.367 -0.533 . . . . 2.04 110.388 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 127' ' ' GLU . . . -101.89 0.01 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.181 0.515 . . . . 0.96 110.5 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.2 91.87 2.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.87 109.929 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.5 mm -78.47 -34.88 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.545 -0.752 . . . . 1.01 111.745 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -81.37 -36.31 29.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.146 -0.479 . . . . 1.02 111.127 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.1 6.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.96 -0.638 . . . . 0.94 111.806 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -95.96 -14.09 23.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.95 110.61 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.77 12.02 61.18 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.846 -0.616 . . . . 0.84 112.339 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.66 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 65.8 mt-30 -134.65 116.66 15.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.81 -0.195 . . . . 1.26 110.933 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.29 112.52 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.003 -0.739 . . . . 0.69 109.003 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -90.25 -179.17 5.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.97 110.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.401 ' O ' HG23 ' A' ' 142' ' ' VAL . 4.1 t80 -59.89 -51.92 67.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.568 0.581 . . . . 1.35 112.568 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.69 -38.66 78.74 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.954 0.407 . . . . 2.6 110.817 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 144' ' ' MET . 49.8 mt-10 -64.43 -41.87 96.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.974 -0.557 . . . . 0.66 110.593 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.504 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 25.7 t80 -73.26 -38.71 65.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.441 . . . . 0.88 111.514 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 85' ' ' ILE . 71.7 t -64.81 -48.42 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.095 0.474 . . . . 0.7 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 90.4 mt-30 -73.19 -6.02 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.5 111.899 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.599 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 3.1 tmm? -107.18 -36.66 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.5 0.556 . . . . 0.89 112.5 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 ttp -104.47 -29.34 10.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.793 -0.567 . . . . 1.47 111.972 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -97.46 -1.21 44.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.582 0.706 . . . . 1.07 110.744 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 1.33 110.608 -179.8 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.653 ' SD ' HG13 ' A' ' 55' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.428 0.632 . . . . 2.55 109.924 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -63.19 1.19 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.605 -1.179 . . . . 1.88 112.11 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.71 ' SG ' HD21 ' A' ' 32' ' ' LEU . 83.3 m -55.86 -29.09 59.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.737 -0.665 . . . . 0.64 112.691 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.788 HD13 ' HG2' ' A' ' 71' ' ' MET . 6.8 tp -82.15 -38.33 24.86 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.861 -0.524 . . . . 1.25 109.74 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.813 ' SG ' HG21 ' A' ' 91' ' ' VAL . 2.4 p -65.2 -27.99 69.07 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.067 -1.086 . . . . 0.61 108.067 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.715 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -64.17 -43.73 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 107.339 -1.356 . . . . 0.62 107.339 176.595 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 3' ' ' CYS . 20.3 t -64.17 -40.36 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.66 -0.7 . . . . 0.57 109.419 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -64.61 -42.16 95.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.013 0.435 . . . . 0.63 110.04 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 57.8 m -62.19 -36.24 81.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.83 110.032 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' B' ' 14' ' ' TYR . 0.1 OUTLIER -76.95 -30.34 55.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 2.03 110.427 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -74.05 -40.22 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.915 -0.772 . . . . 1.32 108.915 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 93.1 t80 -66.9 -45.54 77.66 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.732 -0.84 . . . . 1.21 108.732 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.754 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 2.3 ttp85 -65.56 -23.3 66.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.089 -0.505 . . . . 3.1 110.552 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 11.7 t80 -81.88 -22.22 37.0 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.568 -0.531 . . . . 1.47 109.568 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.71 -36.83 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.545 -0.909 . . . . 1.41 108.545 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.28 -42.38 73.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.66 -0.7 . . . . 2.65 109.917 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -88.52 80.18 7.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.339 -0.846 . . . . 4.01 108.866 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -152.69 -28.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.828 -1.078 . . . . 3.44 110.027 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.141 -0.936 . . . . 4.48 110.097 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' A' ' 72' ' ' MET . 52.1 tp . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.379 -0.6 . . . . 1.71 109.379 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.756 ' HB ' ' OE1' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -80.76 154.16 27.38 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.938 0.399 . . . . 1.25 111.915 -179.307 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.99 -43.94 90.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.417 0.895 . . . . 1.97 113.417 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.756 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.92 -36.93 82.83 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.18 -0.608 . . . . 1.98 109.63 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLN . . . . . 0.412 ' HG3' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -63.47 -48.38 77.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.471 -0.566 . . . . 1.62 109.471 177.385 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mm -51.38 -43.5 30.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.291 0.567 . . . . 1.13 109.588 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.49 90.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.169 -0.923 . . . . 0.74 110.478 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -66.22 -53.38 37.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.223 -0.444 . . . . 1.57 110.51 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -59.94 -28.85 67.98 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.315 -0.402 . . . . 1.85 111.214 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -58.27 -38.13 76.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.268 -0.641 . . . . 1.5 109.268 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.21 -34.13 72.54 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.64 110.198 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' B' ' 6' ' ' ILE . . . -62.94 -44.69 95.38 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.818 -0.808 . . . . 0.51 108.818 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -59.46 -38.03 79.72 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.231 -0.655 . . . . 1.23 109.231 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.2 m -67.89 -22.07 65.11 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.481 -0.782 . . . . 0.77 111.78 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -96.64 -36.23 10.78 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.606 -0.837 . . . . 1.43 110.737 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.738 ' CZ ' ' HA ' ' B' ' 3' ' ' CYS . 11.4 m-85 -68.68 -45.83 70.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.067 0.46 . . . . 0.56 110.326 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.98 133.6 36.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.591 . . . . 0.54 110.44 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -129.21 -5.79 4.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.036 -0.529 . . . . 0.73 111.525 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -100.06 -18.63 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.57 111.599 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.63 67.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.82 -0.705 . . . . 0.59 112.59 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.85 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.951 -0.389 . . . . 0.58 109.951 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.73 -3.5 78.16 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.022 -0.609 . . . . 0.74 113.932 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.4 152.16 30.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.888 0.344 . . . . 0.47 110.388 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.734 HG21 HG13 ' A' ' 63' ' ' ILE . 1.3 mp -83.59 121.27 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.41 111.527 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -103.42 173.72 6.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.392 -0.595 . . . . 0.41 109.392 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.86 -31.55 56.9 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.429 0.633 . . . . 0.6 109.472 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -29.78 56.31 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.371 -0.831 . . . . 2.22 111.947 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 23.6 mt-10 -71.72 -57.69 4.14 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 121.555 -0.716 . . . . 0.42 110.329 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.814 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.4 mp -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.5 110.566 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.72 -36.04 77.12 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.168 -0.539 . . . . 0.5 112.522 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.6 111.155 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 t -66.95 -44.09 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.352 . . . . 0.63 110.065 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mtm -63.69 -18.83 64.4 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.491 0.662 . . . . 1.07 110.743 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.53 -42.17 14.65 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.576 -0.738 . . . . 1.82 110.127 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -72.46 -8.61 55.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.8 111.393 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -87.34 -3.55 59.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.86 109.984 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.78 31.55 9.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.929 -0.653 . . . . 0.89 112.852 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -133.33 153.91 51.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.767 0.317 . . . . 1.25 110.195 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -124.95 92.19 48.06 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.289 -0.414 . . . . 1.37 110.469 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -91.36 132.04 1.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.297 2.665 . . . . 0.74 111.193 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 p -89.7 -176.2 4.9 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.96 -0.296 . . . . 1.04 110.695 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.27 -44.94 16.93 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.684 0.794 . . . . 2.18 113.135 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -38.23 79.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.952 0.353 . . . . 0.63 111.952 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -71.29 -41.34 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.912 -0.403 . . . . 1.57 109.912 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.44 ' O ' HG12 ' A' ' 52' ' ' ILE . 31.8 mt -63.06 -25.47 68.39 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.64 111.912 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -89.68 -38.92 13.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.723 -0.473 . . . . 1.26 109.723 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -42.47 79.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.125 -0.943 . . . . 1.38 109.451 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt -58.09 -47.25 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.376 -0.829 . . . . 1.38 110.933 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 48' ' ' LEU . 30.3 mm -69.7 -40.26 79.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.458 -0.792 . . . . 0.48 110.866 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -57.52 -32.13 66.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.559 -0.291 . . . . 1.4 111.437 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.37 -18.58 64.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.598 -0.274 . . . . 2.84 111.538 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.3 -34.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.271 0.557 . . . . 0.82 110.305 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 3.0 t70 -67.13 126.09 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.308 -0.86 . . . . 0.55 111.108 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.34 -20.49 5.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.696 -0.684 . . . . 0.68 110.4 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -16.4 55.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.812 -0.631 . . . . 0.74 111.284 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.36 53.67 4.04 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.751 -0.738 . . . . 0.9 112.285 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -27.7 2.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.748 0.309 . . . . 0.6 110.323 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.437 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 82.23 52.25 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.52 112.734 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 27' ' ' ILE . 41.5 m -163.84 134.34 4.36 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 122.312 0.245 . . . . 0.57 110.696 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.734 HG13 HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.43 84.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 108.841 -0.8 . . . . 0.46 108.841 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.3 p30 -83.55 176.08 9.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52 110.134 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.49 -51.19 53.1 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.592 0.59 . . . . 1.15 112.592 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -50.03 -47.48 23.52 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.916 1.744 . . . . 0.63 112.225 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -72.74 -30.94 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.561 -0.29 . . . . 0.51 110.65 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 72' ' ' MET . 33.9 t80 -61.16 -38.55 86.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.406 -0.59 . . . . 1.44 109.406 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.33 -54.89 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.89 110.263 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -56.77 -51.33 69.32 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.015 -0.539 . . . . 0.74 111.047 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.761 ' CG ' HD22 ' B' ' 4' ' ' LEU . 1.6 ttp -60.27 -39.88 88.41 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.387 1.054 . . . . 0.71 110.41 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 10.4 ttm -64.03 -46.04 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 1.69 110.678 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.16 -29.72 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.12 0.486 . . . . 0.63 110.801 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.59 -19.64 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.802 -0.636 . . . . 1.45 110.936 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' B' ' 4' ' ' LEU . 0.1 OUTLIER -114.91 -14.49 11.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.655 0.264 . . . . 0.86 111.276 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.5 ttm -55.13 -47.67 74.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.34 -0.615 . . . . 1.68 109.34 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -123.44 56.73 1.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.337 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.61 105.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.618 . . . . 1.41 110.825 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.7 p -131.5 5.54 4.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.097 -0.956 . . . . 1.45 109.039 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.0 43.06 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.161 -1.381 . . . . 1.78 108.114 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB3' ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -62.15 80.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.212 -1.358 . . . . 1.1 114.354 -178.052 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -96.7 -73.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 1.86 108.921 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.71 -22.01 18.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.544 -0.91 . . . . 2.7 108.544 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -57.84 -51.15 70.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.642 -1.163 . . . . 1.27 111.309 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 1.3 tp -64.14 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 1.5 110.658 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -70.77 -43.95 67.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.007 -0.542 . . . . 2.57 109.791 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -54.04 -55.52 26.6 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.47 111.981 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.3 -24.52 65.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.542 0.21 . . . . 0.41 111.392 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.6 t80 -72.51 -32.89 66.52 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.208 -0.664 . . . . 0.75 109.208 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -83.1 -29.21 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 2.35 111.966 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.6 HG21 ' SG ' ' B' ' 5' ' ' CYS . 78.1 t -72.81 -30.67 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.47 110.146 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.43 ' HZ ' HG23 ' B' ' 9' ' ' THR . 13.1 m-85 -88.6 -40.09 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.47 110.682 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.43 94.32 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.43 -0.581 . . . . 0.8 109.43 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -87.4 -20.07 27.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 1.7 111.671 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -80.36 -18.84 47.9 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.198 -0.601 . . . . 0.67 110.763 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.22 61.82 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.983 -0.627 . . . . 0.72 112.374 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -97.78 -20.34 17.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.43 0.157 . . . . 0.72 111.321 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.28 60.72 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.623 -0.798 . . . . 0.58 113.592 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' HB2' HD21 ' A' ' 97' ' ' ASN . 39.3 m-85 -126.81 111.19 13.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 122.348 -0.501 . . . . 1.57 111.182 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.92 146.29 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.629 -0.714 . . . . 0.69 110.499 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 103' ' ' ALA . 97.5 p -159.01 -174.03 4.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.809 -0.178 . . . . 1.14 110.538 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.77 4.36 1.15 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.942 0.877 . . . . 1.3 110.916 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -79.55 -74.28 0.3 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.053 -1.431 . . . . 0.93 109.917 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -30.55 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 0.83 112.413 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.41 HD23 HG12 ' A' ' 125' ' ' ILE . 46.1 tp -61.05 -34.4 74.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.63 110.619 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -65.63 -38.83 90.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 1.18 109.854 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.47 -54.89 21.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.967 -0.56 . . . . 0.83 111.449 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.95 -40.9 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.872 0.323 . . . . 0.53 111.872 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.29 88.9 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.038 0.446 . . . . 0.86 110.783 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.6 m -77.65 -32.21 53.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.523 -0.762 . . . . 0.67 110.551 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -70.14 -39.87 75.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.577 -0.738 . . . . 0.88 110.485 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.08 -33.16 75.13 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.364 0.602 . . . . 0.93 109.693 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.97 38.06 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.247 -0.888 . . . . 0.89 112.993 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.6 170.85 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.174 0.487 . . . . 1.61 110.184 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -87.75 12.68 12.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 1.18 111.121 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.28 111.89 19.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.24 0.543 . . . . 1.27 110.907 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -176.51 5.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.688 -0.687 . . . . 1.04 110.134 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -54.85 -52.33 63.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.601 0.593 . . . . 1.38 112.601 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.15 -29.77 69.57 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.143 -0.223 . . . . 2.33 110.717 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.8 -32.95 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.86 109.848 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -68.45 -40.96 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.603 -0.726 . . . . 0.76 109.566 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.88 -38.2 73.05 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.96 110.051 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 4.1 tp10 -63.17 -50.92 68.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.143 -0.48 . . . . 1.2 110.959 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.689 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.2 ttt -65.84 -36.61 83.94 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.501 -0.318 . . . . 0.76 110.723 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.41 HG12 HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.72 -27.13 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.815 0.672 . . . . 0.92 112.815 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.446 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 14.3 mtm105 -88.2 18.29 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.385 0.883 . . . . 0.94 113.385 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -40.5 17.82 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.489 -0.56 . . . . 2.04 109.489 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.98 -12.8 22.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.49 -0.777 . . . . 0.96 111.181 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.6 105.01 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 0.87 110.574 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.3 mm -109.28 -1.82 9.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 1.01 110.481 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -103.78 -28.36 11.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.402 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.87 48.42 3.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.622 -0.799 . . . . 0.94 112.645 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -126.8 -12.56 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.653 0.263 . . . . 0.95 111.384 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.03 13.76 82.67 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.997 -0.621 . . . . 0.84 113.036 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 52.4 mt-30 -129.34 113.52 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.712 -0.477 . . . . 1.26 109.712 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 83.3 t -81.39 106.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.175 -0.466 . . . . 0.69 110.433 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -85.1 179.73 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.97 -0.292 . . . . 0.97 110.873 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -53.14 -55.41 24.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.838 -0.619 . . . . 1.35 111.482 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -52.99 -47.54 68.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 2.6 111.754 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 144' ' ' MET . 48.0 mt-10 -64.39 -38.3 90.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.955 -0.566 . . . . 0.66 111.306 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 5.2 t80 -71.72 -42.27 67.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 0.88 110.528 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 138' ' ' TYR . 99.5 t -66.88 -48.83 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.381 -0.372 . . . . 0.7 111.563 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -65.99 -4.8 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.885 0.374 . . . . 1.5 111.456 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -110.92 -38.4 5.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.89 111.529 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.658 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -80.54 -48.23 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.621 -0.263 . . . . 1.47 111.208 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -74.13 -32.24 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.07 111.149 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 1.33 110.756 179.709 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.402 0.62 . . . . 2.55 109.491 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -57.1 8.11 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.686 -1.143 . . . . 1.88 111.777 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.814 ' SG ' HD21 ' A' ' 32' ' ' LEU . 65.5 m -60.31 -33.04 71.82 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.569 . . . . 0.64 111.43 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.761 HD22 ' CG ' ' A' ' 71' ' ' MET . 2.1 tp -77.02 -39.34 50.55 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.797 -0.183 . . . . 1.25 110.722 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.6 ' SG ' HG21 ' A' ' 91' ' ' VAL . 16.0 p -66.13 -23.66 66.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.734 -0.839 . . . . 0.61 108.734 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.722 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -69.01 -42.62 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.185 -1.413 . . . . 0.62 107.185 176.097 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 3' ' ' CYS . 14.5 t -61.71 -40.36 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.791 -0.64 . . . . 0.57 109.645 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.658 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.9 OUTLIER -67.57 -45.77 74.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.63 110.003 178.273 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.43 HG23 ' HZ ' ' A' ' 92' ' ' PHE . 90.8 m -60.63 -37.03 80.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.322 -0.622 . . . . 0.83 109.322 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -67.4 -39.18 85.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.696 -0.684 . . . . 2.03 110.464 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -69.71 -43.3 72.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 1.32 109.847 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.0 t80 -64.66 -41.11 96.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.787 -0.642 . . . . 1.21 109.596 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.689 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -70.79 -25.22 62.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.864 . . . . 3.1 110.793 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -80.87 -25.19 37.83 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.278 -0.638 . . . . 1.47 109.278 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -18.11 62.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.54 -0.755 . . . . 1.41 109.704 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -26.96 68.41 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.73 -0.841 . . . . 2.65 108.73 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.5 76.44 5.0 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.713 -1.13 . . . . 4.01 109.492 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -144.55 -67.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.351 0.5 . . . . 3.44 112.351 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.867 0 CA-C-O 119.033 -0.508 . . . . 4.48 112.175 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 5' ' ' THR . 14.2 tp . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.607 0.241 . . . . 1.71 110.79 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -70.22 141.98 52.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.949 -0.569 . . . . 1.25 110.178 178.689 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.83 -37.64 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 1.97 111.321 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 2.2 mp0 -57.06 -50.77 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 1.98 110.176 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.78 -48.04 80.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.549 -0.75 . . . . 1.62 110.304 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 mm -50.19 -44.74 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 120.938 0.399 . . . . 1.13 110.308 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.692 -0.685 . . . . 0.74 110.835 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 50.2 mt-10 -66.26 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.517 -0.31 . . . . 1.57 110.628 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.19 -30.55 69.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.799 0.333 . . . . 1.85 110.58 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 20.0 ttpt -57.75 -38.67 75.78 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.245 -0.65 . . . . 1.5 109.245 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' OE2' ' HA ' ' A' ' 11' ' ' GLU . 30.1 mt-10 -69.17 -38.8 78.89 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.443 -0.799 . . . . 1.64 109.202 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.29 86.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.623 -0.717 . . . . 0.51 109.611 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -57.51 -42.9 83.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.206 -0.452 . . . . 1.23 110.274 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 m -65.99 -14.31 61.4 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.326 0.584 . . . . 0.77 110.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -94.03 -53.8 3.84 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.548 -0.751 . . . . 1.43 110.803 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.757 ' CE2' HD12 ' B' ' 6' ' ' ILE . 33.1 m-85 -64.01 -41.58 97.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.906 0.384 . . . . 0.56 111.181 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.92 133.38 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.94 -0.573 . . . . 0.54 110.783 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -129.91 19.1 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.73 111.154 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -126.6 -23.99 3.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.865 -0.334 . . . . 0.57 111.786 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.05 3.95 57.79 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.984 -0.627 . . . . 0.59 113.174 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -80.49 -38.55 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.769 -0.254 . . . . 0.58 110.873 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.71 -23.76 23.35 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.674 -0.774 . . . . 0.74 113.551 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 2.0 m -89.55 138.54 31.37 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.038 0.447 . . . . 0.47 110.708 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.509 HG21 HD12 ' A' ' 63' ' ' ILE . 1.1 mp -76.82 124.77 35.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.41 110.924 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -112.56 -178.91 3.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.895 -0.78 . . . . 0.41 108.895 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 -31.73 21.56 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.018 0.437 . . . . 0.6 111.179 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -75.19 -19.22 59.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 2.22 111.095 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -82.83 -53.89 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.457 0.473 . . . . 0.42 110.329 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.732 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -63.73 -31.92 73.25 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.433 0.458 . . . . 0.5 111.044 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.77 -31.23 71.04 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 121.0 -0.619 . . . . 0.5 112.618 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -61.67 -42.54 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.63 0.252 . . . . 0.6 110.939 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 39.6 t -61.49 -46.58 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 O-C-N 122.262 -0.273 . . . . 0.63 111.251 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.579 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 32.0 ttm -65.06 -15.34 62.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.147 0.499 . . . . 1.07 110.702 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 34' ' ' THR . 13.1 ttp180 -77.2 -44.08 31.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.58 -0.737 . . . . 1.82 109.221 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.06 -13.87 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.64 -0.709 . . . . 0.8 111.242 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -85.14 4.36 34.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 0.86 110.444 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.49 24.42 67.97 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.89 112.319 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -124.88 168.0 13.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.154 -0.684 . . . . 1.25 109.154 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -158.34 94.09 1.97 Allowed Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.65 -0.42 . . . . 1.37 112.068 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 60.0 Cg_endo -84.5 149.8 11.57 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.562 2.175 . . . . 0.74 112.361 177.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.2 p -90.34 179.06 5.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.885 -0.598 . . . . 1.04 109.65 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -45.88 -59.26 2.92 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.044 0.387 . . . . 2.18 112.044 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.87 57.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.543 0.572 . . . . 0.63 112.543 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.34 -41.62 39.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.256 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.21 -34.68 75.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.64 111.134 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -33.7 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.36 -0.608 . . . . 1.26 109.36 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -55.67 -42.58 75.29 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.082 -0.963 . . . . 1.38 109.782 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.5 -39.83 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.101 -0.954 . . . . 1.38 110.078 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.18 -40.77 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.48 111.105 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -26.94 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.523 0.515 . . . . 1.4 111.639 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.99 -21.11 64.17 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.898 0.38 . . . . 2.84 110.704 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.38 -43.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.104 0.478 . . . . 0.82 110.551 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 7.3 t70 -67.34 122.16 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.55 111.603 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.87 -11.13 8.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.845 0.355 . . . . 0.68 110.609 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.578 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.07 -27.0 35.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.665 -0.414 . . . . 0.74 110.161 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 21.89 17.86 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.829 -0.7 . . . . 0.9 112.719 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.585 HD21 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -98.37 -28.95 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.001 0.429 . . . . 0.6 110.818 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 83.66 45.19 6.52 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.653 -0.784 . . . . 0.52 112.534 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.585 ' HB ' HD21 ' A' ' 60' ' ' ASN . 99.4 m -158.31 128.3 5.98 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.851 -0.205 . . . . 0.57 110.601 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 27' ' ' ILE . 10.9 mt -67.52 96.52 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.602 -0.888 . . . . 0.46 108.602 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.8 p30 -100.78 -178.61 3.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.52 112.018 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.38 -50.15 29.09 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.174 -0.466 . . . . 1.15 111.773 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.72 -49.32 17.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.608 1.538 . . . . 0.63 111.837 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.93 -31.54 72.2 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.261 -0.427 . . . . 0.51 110.867 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.9 t80 -65.38 -37.04 85.81 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.541 0.526 . . . . 1.44 110.231 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.22 -56.88 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.542 . . . . 0.89 110.382 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -64.93 -37.09 86.48 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.841 -0.618 . . . . 0.74 111.172 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.728 ' HG2' HD13 ' B' ' 4' ' ' LEU . 7.4 ttp -64.54 -45.37 87.44 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.71 110.707 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.426 ' SD ' HD22 ' A' ' 4' ' ' LEU . 25.7 ttm -65.33 -39.51 92.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.422 -0.354 . . . . 1.69 110.89 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.71 85.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.655 -0.248 . . . . 0.63 111.018 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . 0.497 ' HD3' ' OE2' ' A' ' 84' ' ' GLU . 3.3 ttm180 -62.17 -37.09 83.91 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.282 -0.417 . . . . 1.45 110.464 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.539 ' CE ' ' HG ' ' B' ' 4' ' ' LEU . 2.8 tppt? -90.16 -10.09 45.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.414 -0.514 . . . . 0.86 111.018 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' MET . . . . . 0.559 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 25.0 ttm -66.76 -48.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.971 0.415 . . . . 1.68 110.208 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 43.8 mtmt -136.32 57.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 1.95 111.492 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.59 136.62 45.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.243 -0.28 . . . . 1.41 110.243 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 p -137.17 20.13 2.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.643 0.735 . . . . 1.45 110.356 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.55 -46.76 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.97 -1.014 . . . . 1.78 108.695 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m 55.33 53.01 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.733 1.382 . . . . 1.1 114.733 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . 4.9 tp10 -83.83 -76.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.035 -0.728 . . . . 1.86 109.035 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 82' ' ' GLU . 3.1 pm0 -90.79 -15.35 30.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.7 110.621 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' OE2' ' HD3' ' A' ' 74' ' ' ARG . 15.2 mm-40 -57.46 -60.47 3.6 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.809 -0.632 . . . . 1.27 111.958 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 24.6 mt -64.52 -31.27 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.381 -0.827 . . . . 1.5 110.974 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -65.33 -51.46 60.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 2.57 110.776 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -50.34 70.99 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.975 -0.557 . . . . 1.47 112.456 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.05 64.57 Favored 'General case' 0 N--CA 1.457 -0.099 0 O-C-N 121.871 -0.518 . . . . 0.41 111.36 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.059 -0.719 . . . . 0.75 109.059 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.22 -23.51 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 2.35 111.671 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.689 HG11 ' SG ' ' B' ' 5' ' ' CYS . 63.0 t -80.48 -40.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 0.47 110.228 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -79.72 -42.47 24.57 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.54 -0.3 . . . . 0.47 110.791 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.63 85.61 6.0 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.8 110.999 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -64.69 -26.62 68.46 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.183 -0.917 . . . . 1.7 111.714 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -85.54 -24.73 27.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.33 -0.548 . . . . 0.67 110.973 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.16 25.54 66.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.879 -0.677 . . . . 0.72 112.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.59 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -86.92 -23.62 25.1 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.591 -0.359 . . . . 0.72 111.317 -179.726 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.74 8.46 37.12 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.732 -0.747 . . . . 0.58 113.099 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HB2' HD21 ' A' ' 97' ' ' ASN . 20.4 m-85 -131.16 106.88 8.63 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 122.754 -0.263 . . . . 1.57 110.618 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.1 mt -86.1 139.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.69 110.411 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 103' ' ' ALA . 25.8 p -150.33 -175.84 5.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.15 -0.315 . . . . 1.14 110.15 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.04 -0.85 3.49 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.177 0.989 . . . . 1.3 110.075 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.25 -76.02 0.11 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.534 -1.666 . . . . 0.93 109.005 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.05 -31.71 50.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.6 0.963 . . . . 0.83 113.6 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.31 -37.69 81.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.026 0.441 . . . . 0.63 111.248 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 106' ' ' ARG . 27.7 ttm180 -59.54 -36.49 76.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.699 -0.682 . . . . 1.18 110.697 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -68.48 -47.59 66.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.83 110.945 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.79 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.23 0.331 . . . . 0.53 110.589 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -38.26 71.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.094 0.473 . . . . 0.86 111.026 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -80.43 -28.82 37.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.696 0.76 . . . . 0.67 110.785 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -43.54 68.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.238 -0.892 . . . . 0.88 111.048 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -69.99 -33.33 71.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.93 110.147 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.11 46.05 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.815 -0.707 . . . . 0.89 112.605 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.15 -178.98 7.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.164 0.507 . . . . 1.61 110.324 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -96.44 34.9 1.55 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.366 -0.833 . . . . 1.18 110.838 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.38 120.58 37.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.996 0.427 . . . . 1.27 111.615 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 p -89.18 -170.54 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.749 -0.659 . . . . 1.04 110.168 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -56.95 13.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.31 0.485 . . . . 1.38 112.31 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.49 -26.37 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 2.33 111.274 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -75.7 -47.33 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.216 -0.447 . . . . 1.86 110.496 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.42 -43.94 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.454 0.645 . . . . 0.76 109.317 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -63.08 -45.4 92.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.931 -1.031 . . . . 0.96 110.544 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.555 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.8 tp10 -63.53 -44.56 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 1.2 111.053 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.786 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -62.9 -45.7 91.26 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.996 -0.547 . . . . 0.76 111.527 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -48.87 -25.99 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.596 0.962 . . . . 0.92 113.596 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 30.7 mtm105 -89.91 24.05 2.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.079 0.399 . . . . 0.94 112.079 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -92.19 -43.35 9.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.151 0.5 . . . . 2.04 109.88 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.645 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -103.4 -12.66 17.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.96 110.693 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -78.11 89.04 4.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.632 . . . . 0.87 110.699 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.8 mm -80.54 -27.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.794 -0.639 . . . . 1.01 112.419 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -84.26 -12.34 54.88 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.242 -0.286 . . . . 1.02 111.482 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.2 42.44 94.28 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.818 -0.706 . . . . 0.94 112.396 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.49 -15.1 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.516 -0.402 . . . . 0.95 111.203 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.83 -4.93 63.66 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.347 -0.93 . . . . 0.84 113.182 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -121.14 119.76 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.201 0.5 . . . . 1.26 111.296 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.2 t -86.53 107.41 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.126 -0.694 . . . . 0.69 109.126 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -87.18 178.88 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.434 -0.348 . . . . 0.97 110.654 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 142' ' ' VAL . 2.4 t80 -52.39 -47.29 66.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.35 112.328 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.11 -44.61 96.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 2.6 110.939 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.16 -32.22 73.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.837 -0.62 . . . . 0.66 111.592 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 30.0 t80 -77.96 -39.23 43.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.537 -0.301 . . . . 0.88 111.167 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 138' ' ' TYR . 90.6 t -60.76 -47.77 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.309 0.576 . . . . 0.7 110.968 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 75.5 mt-30 -67.13 -16.66 64.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.623 -0.717 . . . . 1.5 111.911 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.645 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -97.89 -39.56 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.428 0.529 . . . . 0.89 112.428 -178.762 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.586 ' SD ' HG23 ' B' ' 8' ' ' THR . 17.6 ttp -87.09 -48.81 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.085 -0.646 . . . . 1.47 112.043 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.827 0.346 . . . . 1.07 111.059 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.049 -0.523 . . . . 1.33 110.45 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.421 ' CE ' HD23 ' B' ' 4' ' ' LEU . 2.9 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 121.715 0.769 . . . . 2.55 109.663 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.431 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.08 -48.26 73.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.634 -1.166 . . . . 1.88 111.424 -179.564 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.732 ' SG ' HD21 ' A' ' 32' ' ' LEU . 59.6 m -63.5 -31.68 72.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.64 110.958 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.728 HD13 ' HG2' ' A' ' 71' ' ' MET . 4.7 tp -78.17 -33.23 50.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 1.25 109.967 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.689 ' SG ' HG11 ' A' ' 91' ' ' VAL . 1.6 p -67.13 -27.55 67.41 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.133 -1.062 . . . . 0.61 108.133 178.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.757 HD12 ' CE2' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -68.15 -39.89 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.65 -1.241 . . . . 0.62 107.65 176.712 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 3' ' ' CYS . 10.9 t -63.62 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 N-CA-C 108.562 -0.903 . . . . 0.57 108.562 177.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.586 HG23 ' SD ' ' A' ' 145' ' ' MET . 4.3 m -69.4 -41.43 76.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.834 -0.621 . . . . 0.63 110.07 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -62.02 -35.91 79.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.875 -0.602 . . . . 0.83 109.828 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 0.3 OUTLIER -72.01 -43.82 64.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.873 -0.603 . . . . 2.03 110.205 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 10.0 tmtt? -60.5 -40.82 92.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.451 0.643 . . . . 1.32 109.488 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.41 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 70.1 t80 -72.71 -31.6 65.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.229 -0.896 . . . . 1.21 110.07 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.786 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 16.5 ttp85 -87.07 -2.87 58.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.265 0.555 . . . . 3.1 110.705 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -102.78 -23.11 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.261 -0.882 . . . . 1.47 110.376 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' B' ' 18' ' ' ASP . 2.2 tp60 -79.19 -21.17 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.64 -1.164 . . . . 1.41 111.455 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -64.07 -24.72 67.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.051 0.453 . . . . 2.65 109.873 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -86.75 31.61 0.68 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.8 -0.636 . . . . 4.01 110.398 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' B' ' 15' ' ' GLN . 7.2 t70 -82.01 -53.83 5.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.83 0.678 . . . . 3.44 112.83 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.252 1.188 0 CA-C-O 119.131 -0.461 . . . . 4.48 111.26 -178.331 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 5' ' ' THR . 58.3 tp . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.891 0.377 . . . . 1.71 110.921 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.425 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.34 128.11 35.36 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.342 -0.844 . . . . 1.25 111.1 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -56.4 -39.79 73.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 1.97 110.7 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 4.7 mp0 -57.53 -43.67 84.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.813 -0.63 . . . . 1.98 111.426 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.08 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.616 -0.513 . . . . 1.62 109.616 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.9 mm -54.56 -42.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.277 -0.42 . . . . 1.13 110.643 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -63.78 -38.36 90.82 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.241 -0.436 . . . . 0.74 110.177 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 60.2 mt-10 -64.5 -46.03 84.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 1.57 109.873 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.86 -26.45 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 1.85 110.621 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 5.9 ttpt -59.77 -41.74 91.75 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.291 -0.633 . . . . 1.5 109.291 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.0 -41.05 95.75 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.068 -0.716 . . . . 1.64 109.068 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.51 -48.68 78.49 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-N 115.646 -0.707 . . . . 0.51 110.47 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -54.18 -42.61 69.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.193 0.52 . . . . 1.23 109.786 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 m -65.77 -28.05 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.42 -0.809 . . . . 0.77 111.843 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp -88.07 -39.08 14.9 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.315 -0.554 . . . . 1.43 111.464 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.776 ' CE2' HD12 ' B' ' 6' ' ' ILE . 24.1 m-85 -69.72 -40.68 76.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.543 0.611 . . . . 0.56 110.409 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.24 139.16 37.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.575 -0.739 . . . . 0.54 110.754 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -138.32 26.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.73 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -130.41 -27.02 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.85 -0.34 . . . . 0.57 111.564 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.41 8.01 56.56 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.271 -0.966 . . . . 0.59 111.788 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -32.5 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.693 0.283 . . . . 0.58 110.464 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.03 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.71 -0.757 . . . . 0.74 113.631 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.75 152.58 24.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.034 0.417 . . . . 0.47 111.45 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.635 HG23 HD13 ' A' ' 32' ' ' LEU . 1.4 mp -91.33 122.35 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.41 110.903 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -103.18 175.54 5.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.097 -1.075 . . . . 0.41 108.097 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -29.57 31.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.343 0.592 . . . . 0.6 109.633 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.7 -28.65 61.84 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.396 -0.82 . . . . 2.22 111.93 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 28.9 mt-10 -71.86 -51.89 20.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.122 0.487 . . . . 0.42 110.661 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.811 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.5 mp -69.01 -26.68 65.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.655 -0.702 . . . . 0.5 111.251 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.58 -39.91 97.12 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.01 -0.614 . . . . 0.5 111.754 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -59.84 -42.48 93.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.596 -0.302 . . . . 0.6 110.886 179.351 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.0 -37.01 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.956 0.408 . . . . 0.63 110.144 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 ttm -67.03 -15.39 63.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.439 0.638 . . . . 1.07 110.245 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -85.14 -36.41 21.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.018 -0.992 . . . . 1.82 109.35 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.6 -18.86 65.64 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.723 -0.671 . . . . 0.8 110.242 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.535 ' O ' ' HE2' ' A' ' 94' ' ' LYS . 89.7 mt -78.78 -0.21 29.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.86 111.294 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.72 23.2 56.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.857 -0.687 . . . . 0.89 112.598 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -129.84 139.24 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.161 -0.311 . . . . 1.25 110.161 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -119.43 94.59 48.56 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-O 120.737 0.303 . . . . 1.37 111.377 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.45 149.45 7.65 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.305 2.67 . . . . 0.74 111.736 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 p -96.88 -179.56 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.255 -0.278 . . . . 1.04 110.96 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 5.3 mm-40 -51.03 -30.52 15.63 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.531 0.567 . . . . 2.18 112.531 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.99 -50.29 29.97 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.425 0.631 . . . . 0.63 110.33 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.76 -39.55 73.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.043 -0.98 . . . . 1.57 110.971 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' O ' HG12 ' A' ' 52' ' ' ILE . 42.0 mt -64.26 -33.46 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.381 0.512 . . . . 0.64 112.381 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -84.13 -28.73 27.26 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.628 -0.878 . . . . 1.26 108.628 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.78 -42.74 97.69 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.857 -1.065 . . . . 1.38 110.471 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 19.2 mmt -58.73 -42.15 88.08 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.808 -0.633 . . . . 1.38 109.938 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG23 HG13 ' A' ' 63' ' ' ILE . 27.7 mm -69.8 -37.47 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.364 -0.835 . . . . 0.48 110.694 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.61 -33.0 67.77 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.385 -0.371 . . . . 1.4 111.234 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.06 -33.98 76.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.233 0.54 . . . . 2.84 109.666 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -87.26 -39.84 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 0.82 110.564 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.39 137.6 56.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.202 -0.908 . . . . 0.55 112.498 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.16 -13.3 2.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.262 -0.881 . . . . 0.68 110.558 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.531 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -85.92 -21.5 27.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.74 110.424 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.06 29.05 13.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.99 -0.624 . . . . 0.9 112.759 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.531 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -104.43 -28.4 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.211 0.506 . . . . 0.6 111.28 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.19 43.39 7.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.493 -0.861 . . . . 0.52 112.297 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.462 ' HB ' HD21 ' A' ' 60' ' ' ASN . 90.1 m -157.24 129.21 7.16 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 122.351 0.26 . . . . 0.57 110.328 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 52' ' ' ILE . 11.3 mt -70.15 98.18 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 115.908 -0.587 . . . . 0.46 109.6 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.49 -178.71 3.74 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.968 -0.56 . . . . 0.52 111.645 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.4 t80 -68.71 -50.14 25.7 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.278 0.473 . . . . 1.15 112.278 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 72.4 Cg_exo -48.96 -50.9 11.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.822 1.681 . . . . 0.63 112.486 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -71.28 -25.7 62.56 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.684 -0.235 . . . . 0.51 111.21 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.96 -40.15 95.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 1.44 109.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.59 -53.08 59.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.89 110.09 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -44.44 93.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.74 111.293 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.736 ' HG2' HD13 ' B' ' 4' ' ' LEU . 5.5 ttp -60.54 -47.15 87.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.71 110.974 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -66.48 -46.41 76.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.974 -0.557 . . . . 1.69 110.952 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.95 64.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.82 0.343 . . . . 0.63 111.39 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -58.85 -37.74 77.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.526 -0.761 . . . . 1.45 111.204 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 tppt? -93.29 -28.66 16.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.658 0.266 . . . . 0.86 111.22 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ttm -51.04 -41.12 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 1.68 110.195 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.82 46.77 2.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.37 -0.832 . . . . 1.95 109.59 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 56.8 t0 -71.86 99.15 2.14 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.125 -0.943 . . . . 1.41 111.094 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.0 p -140.6 17.62 2.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.214 1.007 . . . . 1.45 108.523 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.26 30.11 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.996 -1.456 . . . . 1.78 108.111 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.449 ' HB3' HG13 ' A' ' 85' ' ' ILE . 2.5 m -36.71 104.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 113.576 -1.647 . . . . 1.1 114.307 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -98.24 -68.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 1.86 109.42 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -106.33 -12.97 15.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.352 -0.84 . . . . 2.7 109.812 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 81' ' ' SER . 2.9 mm-40 -52.2 -49.23 64.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.047 -0.979 . . . . 1.27 112.181 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.65 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 6.9 mt -56.91 -41.99 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 O-C-N 123.256 0.348 . . . . 1.5 110.978 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -52.39 42.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.28 0.363 . . . . 2.57 111.166 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -55.81 17.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.117 -0.492 . . . . 1.47 111.667 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.84 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.077 -0.39 . . . . 0.41 111.452 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -77.26 -37.16 53.62 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 120.937 -0.305 . . . . 0.75 110.679 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -71.98 -19.42 61.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 2.35 110.494 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.822 HG21 ' SG ' ' B' ' 5' ' ' CYS . 68.5 t -86.34 -36.55 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.877 -0.601 . . . . 0.47 110.182 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -82.91 -34.85 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.545 -0.298 . . . . 0.47 110.828 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.23 88.58 6.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.172 0.511 . . . . 0.8 109.935 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' A' ' 39' ' ' LEU . 27.8 tttm -75.88 -23.59 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.706 . . . . 1.7 111.25 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -88.38 -17.06 31.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.436 -0.347 . . . . 0.67 111.835 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.12 36.12 92.56 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.442 -0.885 . . . . 0.72 111.967 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 99' ' ' TYR . 9.7 p-10 -98.74 -8.95 25.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.862 0.363 . . . . 0.72 110.357 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 19.13 67.26 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.816 -0.629 . . . . 0.58 112.78 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 39.7 m-85 -138.13 113.41 9.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.782 0.325 . . . . 1.57 111.271 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -94.81 133.37 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.229 -0.656 . . . . 0.69 109.229 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 103' ' ' ALA . 12.9 p -147.07 -163.67 1.82 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.023 -0.732 . . . . 1.14 109.023 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.22 19.93 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.302 1.049 . . . . 1.3 110.25 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.56 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -88.88 -81.87 0.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.343 -1.753 . . . . 0.93 110.741 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 -21.29 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.839 -0.619 . . . . 0.83 111.929 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.57 -43.97 96.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.63 110.243 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.3 ttm105 -63.74 -34.97 79.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 1.18 110.221 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -64.02 -52.37 59.82 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.625 -0.716 . . . . 0.83 110.29 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.28 -46.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.482 -0.326 . . . . 0.53 111.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -41.91 64.16 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.813 0.301 . . . . 0.86 111.813 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 m -79.41 -28.54 41.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.612 0.244 . . . . 0.67 111.465 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.55 -35.23 77.14 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.759 0.314 . . . . 0.88 111.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.65 -21.75 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.913 0.387 . . . . 0.93 110.624 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.16 27.0 29.42 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.053 -0.594 . . . . 0.89 112.225 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.1 mm-40 -87.66 173.76 8.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.108 0.48 . . . . 1.61 111.445 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 2.0 mptt -99.11 77.07 2.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.743 -0.662 . . . . 1.18 111.265 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 114' ' ' GLU . 3.3 mp -134.07 126.62 30.49 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.893 -0.41 . . . . 1.27 109.893 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -94.05 176.19 6.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.345 -0.388 . . . . 1.04 110.104 179.34 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.36 -37.54 75.41 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.852 -0.796 . . . . 1.38 108.852 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.94 -35.21 78.03 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.084 -0.962 . . . . 2.33 110.352 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HB2' ' N ' ' A' ' 117' ' ' THR . 4.3 mm-40 -69.88 -41.19 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.362 -0.381 . . . . 1.86 110.085 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.59 ' O ' ' HB ' ' A' ' 125' ' ' ILE . 79.8 t -59.3 -42.32 86.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.022 -0.535 . . . . 0.76 110.287 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 125' ' ' ILE . 11.2 t70 -71.17 -37.24 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.96 111.114 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.59 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 3.1 tp10 -64.49 -44.75 90.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 1.2 110.964 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.703 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 22.1 ttt -73.02 -39.28 66.14 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.715 0.293 . . . . 0.76 110.738 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ILE . . . . . 0.59 ' HB ' ' O ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -53.03 -18.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 113.303 0.853 . . . . 0.92 113.303 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.59 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 13.2 mtm105 -94.31 15.6 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.903 -0.498 . . . . 0.94 111.444 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -40.77 29.23 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.549 -0.538 . . . . 2.04 109.549 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.81 -21.04 13.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.955 -0.566 . . . . 0.96 110.896 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 91.13 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.116 0.484 . . . . 0.87 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.2 mm -86.03 -32.32 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.536 -0.756 . . . . 1.01 111.274 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -70.33 -28.25 65.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.804 -0.634 . . . . 1.02 111.135 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.09 41.18 10.56 Favored Glycine 0 CA--C 1.508 -0.406 0 N-CA-C 111.236 -0.745 . . . . 0.94 111.236 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.06 -11.77 13.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.265 . . . . 0.95 111.337 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.66 13.78 66.69 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 121.225 -0.512 . . . . 0.84 113.66 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.527 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 39.5 mt-30 -130.75 107.54 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.002 0.401 . . . . 1.26 110.946 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.586 HG23 HD13 ' A' ' 125' ' ' ILE . 66.7 t -76.46 103.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.847 -0.797 . . . . 0.69 108.847 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -82.55 179.48 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.709 -0.397 . . . . 0.97 110.441 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.16 -45.99 79.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.35 111.361 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.88 -46.19 89.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.109 0.481 . . . . 2.6 110.91 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.59 -39.22 93.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.586 . . . . 0.66 110.061 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.408 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 54.3 t80 -67.6 -48.15 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.88 111.415 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.88 -41.75 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.321 -0.399 . . . . 0.7 111.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -66.74 -12.84 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.975 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.594 ' SD ' ' HB3' ' B' ' 15' ' ' GLN . 1.9 tmm? -109.69 -36.78 5.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.361 -0.381 . . . . 0.89 111.689 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.562 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -82.24 -39.76 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.047 0.388 . . . . 1.47 112.047 -178.595 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 m -99.5 -10.59 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.434 . . . . 1.07 111.8 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.561 -0.29 . . . . 1.33 110.758 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.455 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.273 0.559 . . . . 2.55 110.355 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -16.23 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.471 2.026 . . . . 1.88 116.471 -178.507 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.811 ' SG ' HD21 ' A' ' 32' ' ' LEU . 99.7 m -63.33 -38.71 92.22 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.208 -0.933 . . . . 0.64 112.905 -177.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.736 HD13 ' HG2' ' A' ' 71' ' ' MET . 9.9 tp -70.49 -35.3 73.17 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 111.611 0.226 . . . . 1.25 111.611 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.822 ' SG ' HG21 ' A' ' 91' ' ' VAL . 6.7 p -67.76 -27.24 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.778 -0.823 . . . . 0.61 108.778 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.776 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -65.49 -39.98 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.403 -1.332 . . . . 0.62 107.403 176.724 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 3' ' ' CYS . 23.3 t -65.68 -40.84 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.951 -1.022 . . . . 0.57 109.427 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.562 HG22 ' SD ' ' A' ' 145' ' ' MET . 1.5 m -67.23 -39.93 86.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.982 0.42 . . . . 0.63 110.354 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -61.88 -36.04 80.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.469 0.652 . . . . 0.83 109.812 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -39.99 72.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.511 -0.768 . . . . 2.03 109.634 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -62.19 -47.91 82.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.84 -0.8 . . . . 1.32 108.84 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.9 t80 -60.49 -41.54 94.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.103 -0.953 . . . . 1.21 110.343 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.703 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 10.5 ttt180 -77.44 -10.42 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 3.1 111.213 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -94.5 -19.94 20.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.713 0.768 . . . . 1.47 108.986 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.594 ' HB3' ' SD ' ' A' ' 144' ' ' MET . 0.9 OUTLIER -84.06 -17.2 41.1 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.902 -1.045 . . . . 1.41 111.054 -179.032 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -46.94 85.5 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.451 -0.574 . . . . 2.65 109.451 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.82 77.32 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.837 0.827 . . . . 4.01 109.921 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -128.31 -35.74 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.788 -1.097 . . . . 3.44 109.694 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.609 -0.71 . . . . 4.48 109.97 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.633 -0.506 . . . . 1.71 109.633 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.07 137.68 58.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.145 0.498 . . . . 1.25 111.064 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.21 -41.01 83.1 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.635 -0.711 . . . . 1.97 111.368 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.05 -49.12 74.63 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.127 -0.694 . . . . 1.98 109.127 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.82 -48.48 81.53 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.49 -0.777 . . . . 1.62 110.146 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.9 -38.88 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 1.13 110.695 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.88 60.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.219 -0.446 . . . . 0.74 110.77 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -63.46 -52.25 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.173 0.511 . . . . 1.57 110.359 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -59.83 -29.44 68.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 1.85 111.673 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 25.8 ttpt -60.5 -41.98 95.41 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.269 0.557 . . . . 1.5 110.309 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.08 -41.0 99.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.106 -0.702 . . . . 1.64 109.106 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -47.24 85.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.51 110.09 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.29 -42.13 73.21 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.065 0.46 . . . . 1.23 109.996 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -68.9 -15.11 63.4 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.566 -0.743 . . . . 0.77 110.925 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.97 -48.15 7.64 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 109.301 -0.629 . . . . 1.43 109.301 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' HD12 ' B' ' 6' ' ' ILE . 27.8 m-85 -68.4 -44.13 75.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.281 -0.418 . . . . 0.56 110.689 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -80.07 138.66 37.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.54 111.266 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -137.73 -6.83 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.824 0.305 . . . . 0.73 111.824 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -96.29 -13.31 23.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.642 -0.423 . . . . 0.57 110.549 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.71 80.88 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.937 -0.649 . . . . 0.59 112.433 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.8 -30.34 26.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.981 0.419 . . . . 0.58 109.937 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.11 -21.8 42.99 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.903 -0.59 . . . . 0.74 113.329 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.402 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -92.1 140.55 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 0.47 111.241 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.597 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.77 127.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.741 . . . . 0.41 110.384 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -116.86 178.35 4.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.567 -0.531 . . . . 0.41 109.567 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -83.68 -28.7 28.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.061 0.458 . . . . 0.6 110.402 -179.186 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HD3' ' O ' ' A' ' 30' ' ' LYS . 6.8 tmtt? -78.32 -27.94 47.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.176 -0.465 . . . . 2.22 110.926 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.0 mt-10 -75.54 -54.83 6.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 122.328 -0.233 . . . . 0.42 110.851 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.6 mp -60.74 -37.56 82.18 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.188 0.518 . . . . 0.5 111.195 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.08 -35.5 64.68 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.6 -0.727 . . . . 0.5 111.641 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.5 m -60.56 -46.32 90.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.86 0.362 . . . . 0.6 110.043 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 11.0 t -66.72 -41.64 88.31 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 121.669 -0.644 . . . . 0.63 110.843 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.7 ttm -68.22 -11.13 58.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.984 -1.007 . . . . 1.07 111.01 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -85.88 -42.73 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.478 -0.564 . . . . 1.82 109.478 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -15.05 61.96 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.746 -0.661 . . . . 0.8 110.062 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 17.7 mt -69.3 -14.65 63.06 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.857 -0.611 . . . . 0.86 110.681 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 94' ' ' LYS . . . 98.87 17.9 26.57 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.286 -0.483 . . . . 0.89 112.695 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.57 156.68 43.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.763 0.316 . . . . 1.25 110.422 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -128.5 106.99 19.04 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.392 -0.367 . . . . 1.37 110.77 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -91.48 138.5 2.18 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.657 2.238 . . . . 0.74 113.057 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 p -87.25 176.01 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 1.04 110.031 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -52.78 -38.25 60.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.919 0.39 . . . . 2.18 110.717 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.22 76.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.63 110.708 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -41.42 71.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.567 0.699 . . . . 1.57 110.14 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 23.3 mt -63.89 -23.8 67.49 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.44 -0.8 . . . . 0.64 111.22 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -88.01 -37.53 16.26 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.101 -0.703 . . . . 1.26 109.101 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.25 -42.61 95.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.43 -1.259 . . . . 1.38 110.483 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 10.6 mmt -63.59 -51.76 63.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.705 -0.68 . . . . 1.38 111.197 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.45 -38.42 81.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.887 -0.597 . . . . 0.48 110.532 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -52.6 -35.46 54.34 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 1.4 111.905 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.42 -36.58 73.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.96 -0.564 . . . . 2.84 111.16 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.434 HG11 HG23 ' A' ' 63' ' ' ILE . 14.9 t -97.59 -43.83 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-N 116.105 -0.498 . . . . 0.82 111.205 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 12.3 t70 -68.3 103.29 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.113 0.483 . . . . 0.55 111.26 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.11 -5.15 14.81 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.53 0.681 . . . . 0.68 110.032 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.42 28.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.151 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 50.28 4.46 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 116.135 -0.484 . . . . 0.9 112.556 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.65 -25.98 3.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.741 0.305 . . . . 0.6 110.407 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.466 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.35 40.86 7.67 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.999 -0.619 . . . . 0.52 112.062 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 m -155.25 130.28 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.477 0.18 . . . . 0.57 110.915 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.597 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 16.3 mt -77.21 95.2 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.383 -0.969 . . . . 0.46 108.383 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -98.11 177.61 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.52 111.184 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -50.63 78.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 112.942 0.719 . . . . 1.15 112.942 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.06 -52.32 9.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.059 1.839 . . . . 0.63 112.157 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.17 -28.38 68.06 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 121.165 0.507 . . . . 0.51 110.134 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 31.8 t80 -63.92 -36.17 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 1.44 110.215 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 mt -70.54 -53.5 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.741 -0.663 . . . . 0.89 109.433 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -56.14 -49.31 74.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.963 -1.017 . . . . 0.74 110.909 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' MET . . . . . 0.638 ' CG ' HD22 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -62.9 -39.43 94.5 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.23 -0.895 . . . . 0.71 111.567 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 ttm -67.57 -43.59 80.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.242 -0.436 . . . . 1.69 110.421 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.93 63.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.64 0.733 . . . . 0.63 109.923 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -79.2 -2.14 39.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.277 -0.874 . . . . 1.45 111.309 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -129.14 -9.23 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.184 0.516 . . . . 0.86 111.735 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.0 ttm -72.05 -40.18 68.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.155 0.502 . . . . 1.68 109.857 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -142.46 54.5 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.99 -0.55 . . . . 1.95 110.298 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -68.81 117.7 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.109 0.48 . . . . 1.41 111.076 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 HG23 ' A' ' 146' ' ' THR . 26.6 p -130.55 11.63 5.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.72 0.772 . . . . 1.45 109.001 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.06 20.75 8.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.023 -0.99 . . . . 1.78 109.566 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' SER . . . . . 0.466 ' HB3' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -38.66 103.96 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.939 1.829 . . . . 1.1 115.939 -177.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.25 -69.47 0.81 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.705 -1.22 . . . . 1.86 107.705 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -110.99 -7.04 14.57 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 109.268 -0.642 . . . . 2.7 109.268 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.69 -58.14 9.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.74 . . . . 1.27 111.835 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.624 ' CD1' ' HA ' ' A' ' 142' ' ' VAL . 6.3 mt -63.1 -31.18 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.827 -0.624 . . . . 1.5 110.02 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD3' ' OH ' ' A' ' 138' ' ' TYR . 3.2 tpt180 -65.59 -44.65 85.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.259 -0.645 . . . . 2.57 109.259 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.423 ' HG3' ' HB3' ' B' ' 1' ' ' MET . 0.0 OUTLIER -50.18 -53.71 25.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.893 -0.594 . . . . 1.47 110.743 178.738 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.97 -24.11 61.54 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.25 0.463 . . . . 0.41 112.25 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.3 t80 -72.13 -39.38 68.88 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.252 -1.018 . . . . 0.75 108.252 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -28.81 63.1 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.858 -1.065 . . . . 2.35 110.54 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.753 HG21 ' SG ' ' B' ' 5' ' ' CYS . 32.3 t -73.74 -40.31 53.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.342 -0.39 . . . . 0.47 110.828 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.54 -36.47 38.33 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.47 110.647 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.19 89.46 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.954 -0.566 . . . . 0.8 109.517 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 40' ' ' GLY . 23.6 tttm -71.6 -37.62 70.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 1.7 112.893 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -70.83 -12.8 61.76 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.8 0.296 . . . . 0.67 111.8 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.93 24.27 71.47 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.048 -0.596 . . . . 0.72 112.53 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . 0.576 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -85.55 -21.79 28.4 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.648 0.261 . . . . 0.72 110.545 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.91 30.36 8.99 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.317 -0.944 . . . . 0.58 112.964 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' HB2' HD21 ' A' ' 97' ' ' ASN . 13.9 m-85 -150.62 111.96 4.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.439 0.638 . . . . 1.57 111.359 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -87.41 133.86 29.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.264 -0.88 . . . . 0.69 110.987 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.09 -173.67 4.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.685 -0.857 . . . . 1.14 108.685 179.026 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.96 5.74 3.1 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 122.631 1.205 . . . . 1.3 109.387 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.67 -74.62 0.15 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 112.955 -1.929 . . . . 0.93 108.223 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -88.41 -21.25 24.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.44 0.904 . . . . 0.83 113.44 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.07 -41.26 92.03 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 120.096 -0.642 . . . . 0.63 109.374 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -58.5 -45.64 88.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.857 -0.61 . . . . 1.18 110.098 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.77 -50.16 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.368 -0.833 . . . . 0.83 111.403 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' GLU . 3.2 t -69.59 -39.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.833 0.308 . . . . 0.53 111.833 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -46.41 86.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.452 0.168 . . . . 0.86 111.08 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -72.93 -27.6 61.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.339 -0.391 . . . . 0.67 110.948 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -39.11 68.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.829 0.307 . . . . 0.88 111.829 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.7 -10.91 60.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.622 0.249 . . . . 0.93 111.67 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 36.05 30.54 Favored Glycine 0 CA--C 1.507 -0.439 0 C-N-CA 120.659 -0.781 . . . . 0.89 112.141 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -87.23 166.47 14.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.165 0.507 . . . . 1.61 111.045 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD2' ' OE1' ' A' ' 114' ' ' GLU . 0.6 OUTLIER -93.97 64.79 3.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.516 -0.765 . . . . 1.18 110.255 -179.309 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 114' ' ' GLU . 5.2 mp -138.11 125.49 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 1.27 111.849 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -92.66 -176.49 4.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 1.04 110.279 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -47.03 79.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.895 0.331 . . . . 1.38 111.895 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -68.91 -23.38 64.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.355 -0.384 . . . . 2.33 111.478 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.81 -33.5 66.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.59 0.709 . . . . 1.86 109.093 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -65.05 -44.09 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.76 109.425 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -47.09 85.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.502 -0.555 . . . . 0.96 109.502 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.488 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 16.9 tp10 -56.83 -48.96 76.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.836 -0.62 . . . . 1.2 111.302 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' MET . . . . . 0.777 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.0 ttt -65.19 -45.92 82.87 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.23 -0.441 . . . . 0.76 111.352 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.54 -28.79 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 112.345 0.498 . . . . 0.92 112.345 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' ARG . . . . . 0.488 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 23.8 mtm105 -85.22 19.55 2.21 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.639 0.607 . . . . 0.94 112.639 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' GLU . . . . . 0.484 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -94.76 -48.89 5.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.655 -0.418 . . . . 2.04 110.852 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.748 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -91.87 -26.72 18.35 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.96 110.787 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.61 108.53 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.569 0.543 . . . . 0.87 109.686 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.2 mm -102.27 -30.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 1.01 111.926 -177.399 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 133' ' ' ASP . 6.2 p-10 -79.81 -11.6 59.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 1.02 109.298 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 59.32 7.23 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.94 113.381 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ASP . . . . . 0.481 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 2.5 p-10 -118.54 -5.71 10.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.752 0.276 . . . . 0.95 110.732 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.55 -1.33 78.81 Favored Glycine 0 N--CA 1.46 0.265 0 C-N-CA 120.94 -0.647 . . . . 0.84 113.136 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.09 141.71 51.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.028 0.442 . . . . 1.26 110.851 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' VAL . . . . . 0.407 HG21 ' OH ' ' B' ' 12' ' ' TYR . 58.3 t -99.66 113.14 34.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.843 -0.799 . . . . 0.69 108.843 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -86.72 -179.99 6.67 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.465 -0.494 . . . . 0.97 110.848 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' TYR . . . . . 0.557 ' O ' HG23 ' A' ' 142' ' ' VAL . 1.9 t80 -55.99 -50.21 71.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 1.35 112.289 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.77 -37.26 84.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.336 0.495 . . . . 2.6 112.336 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.092 0.472 . . . . 0.66 109.868 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 18.7 t80 -71.61 -39.69 70.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.971 -0.559 . . . . 0.88 110.347 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' VAL . . . . . 0.624 ' HA ' ' CD1' ' A' ' 85' ' ' ILE . 32.5 t -52.09 -51.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.502 0.668 . . . . 0.7 110.869 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.55 -44.01 95.4 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.224 -0.898 . . . . 1.5 111.2 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' MET . . . . . 0.748 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.3 mmm -62.72 -36.62 83.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.887 -0.597 . . . . 0.89 111.922 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . 0.576 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -75.33 -39.78 59.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 1.47 110.215 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 146' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 79' ' ' THR . 90.4 m -66.78 -58.36 5.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.071 -0.513 . . . . 1.07 111.996 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.522 . . . . 1.33 111.329 -179.698 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.884 -0.784 . . . . 2.55 108.884 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ASP . . . . . 0.536 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -28.16 -72.31 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 115.687 1.736 . . . . 1.88 115.687 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' CYS . . . . . 0.691 ' SG ' HD21 ' A' ' 32' ' ' LEU . 79.1 m -65.7 -26.76 67.92 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.88 0.696 . . . . 0.64 112.88 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.638 HD22 ' CG ' ' A' ' 71' ' ' MET . 6.4 tp -81.5 -34.61 31.17 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.07 0.548 . . . . 1.25 110.411 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' CYS . . . . . 0.753 ' SG ' HG21 ' A' ' 91' ' ' VAL . 16.8 p -69.62 -25.31 63.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.859 -1.163 . . . . 0.61 107.859 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ILE . . . . . 0.685 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.14 -43.32 95.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 106.999 -1.482 . . . . 0.62 106.999 176.039 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 7' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 3' ' ' CYS . 23.5 t -61.08 -43.89 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.201 -0.909 . . . . 0.57 109.67 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' THR . . . . . 0.576 HG23 ' SD ' ' A' ' 145' ' ' MET . 8.3 m -63.67 -43.51 96.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.603 -0.517 . . . . 0.63 109.603 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 49.5 m -58.52 -37.74 76.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.367 0.603 . . . . 0.83 109.786 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -70.38 -40.99 73.66 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.035 -0.53 . . . . 2.03 110.762 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.9 -45.17 82.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.96 -0.756 . . . . 1.32 108.96 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 79.9 t80 -63.52 -44.09 95.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 1.21 110.626 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.777 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 8.2 ttp85 -72.5 -20.23 61.4 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.767 -0.651 . . . . 3.1 111.24 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -91.47 -14.38 30.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.19 0.519 . . . . 1.47 110.642 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' B' ' 15' ' ' GLN . 1.7 tp60 -76.38 -23.77 54.1 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.45 -0.795 . . . . 1.41 110.745 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -23.91 67.48 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.36 0.6 . . . . 2.65 109.685 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -73.87 72.65 1.58 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.659 0.742 . . . . 4.01 109.834 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -137.9 -43.64 0.52 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.65 -0.705 . . . . 3.44 110.089 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.078 -0.965 . . . . 4.48 108.987 177.878 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.451 -0.404 0 N-CA-C 111.939 0.348 . . . . 1.25 111.939 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -59.71 -33.74 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.754 -0.657 . . . . 1.97 110.754 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 3.1 mp0 -60.98 -45.83 93.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.177 -0.675 . . . . 1.98 109.177 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.46 -46.86 86.56 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.86 -0.609 . . . . 1.62 109.475 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mm -51.72 -44.84 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.514 -0.312 . . . . 1.13 111.27 178.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.66 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.74 110.675 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 75.3 mt-10 -73.46 -47.73 39.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 1.57 109.953 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.16 -28.45 67.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.095 0.474 . . . . 1.85 110.203 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.11 -38.13 75.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.897 -0.779 . . . . 1.5 108.897 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.57 -46.05 77.29 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.713 -0.676 . . . . 1.64 110.361 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.75 -51.43 70.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.21 -0.45 . . . . 0.51 111.117 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.448 ' HZ ' ' O ' ' A' ' 25' ' ' GLY . 43.7 t80 -55.44 -35.55 65.56 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.236 -0.893 . . . . 1.23 110.128 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.1 m -69.24 -23.82 63.92 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 124.156 0.91 . . . . 0.77 112.106 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -89.24 -35.58 16.1 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 119.818 -0.753 . . . . 1.43 111.156 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -69.41 -38.28 77.86 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 118.039 0.382 . . . . 0.56 110.806 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -81.49 132.62 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.876 0.369 . . . . 0.54 110.997 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -133.8 20.8 3.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.73 111.609 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -128.51 -17.38 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.527 -0.306 . . . . 0.57 111.76 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.36 69.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.006 -0.616 . . . . 0.59 112.369 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -35.61 16.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.772 0.32 . . . . 0.58 110.524 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HZ ' ' A' ' 16' ' ' PHE . . . 100.24 15.65 29.74 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.413 -0.898 . . . . 0.74 113.291 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -133.04 142.47 48.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.884 -0.413 . . . . 0.47 109.884 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.7 mt -81.46 124.31 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.064 -0.347 . . . . 0.41 110.064 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -110.55 177.42 4.69 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.837 0.351 . . . . 0.41 110.337 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -82.69 -32.63 27.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.365 0.602 . . . . 0.6 110.195 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -69.46 -33.5 73.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.756 -0.656 . . . . 2.22 111.682 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -72.84 -56.26 5.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.774 0.321 . . . . 0.42 110.615 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.722 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.5 mp -64.62 -35.85 82.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.5 111.254 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.6 72.22 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.139 -0.784 . . . . 0.5 111.139 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.7 m -62.49 -40.57 97.13 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 115.65 -0.275 . . . . 0.6 110.943 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.9 -41.47 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.911 0.386 . . . . 0.63 110.024 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.77 -11.51 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 1.07 110.421 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -88.3 -40.99 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.89 -1.05 . . . . 1.82 108.707 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 m -71.05 -3.01 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.351 -0.841 . . . . 0.8 110.664 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -86.7 -3.3 59.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.067 -0.515 . . . . 0.86 110.922 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.05 7.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.387 -0.911 . . . . 0.89 112.0 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -140.03 162.64 34.73 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.048 -0.353 . . . . 1.25 110.048 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -142.47 96.67 6.25 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.393 -0.595 . . . . 1.37 109.393 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -93.36 149.95 2.43 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.148 2.565 . . . . 0.74 112.801 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -92.64 178.43 5.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.182 -0.463 . . . . 1.04 109.99 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.76 34.6 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.19 0.441 . . . . 2.18 112.19 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.59 70.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.148 0.499 . . . . 0.63 111.054 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.9 mp0 -75.7 -41.84 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.397 -0.82 . . . . 1.57 110.592 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.45 -36.24 73.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 0.64 112.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -85.72 -23.42 27.36 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.282 -0.567 . . . . 1.26 110.08 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.41 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.589 . . . . 1.38 110.217 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 12.2 mmt -64.76 -43.81 92.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.113 -0.948 . . . . 1.38 109.828 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.15 -42.6 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.911 -1.04 . . . . 0.48 111.394 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -55.11 -28.61 53.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.368 -0.378 . . . . 1.4 111.368 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.88 -35.32 79.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 2.84 110.775 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.9 -33.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.704 -0.68 . . . . 0.82 109.869 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.72 123.46 20.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.415 -0.811 . . . . 0.55 111.717 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.69 -15.67 7.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.964 -0.562 . . . . 0.68 110.712 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.0 -31.51 34.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.74 111.038 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.14 25.47 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.57 -0.824 . . . . 0.9 113.196 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.467 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -106.24 -25.55 11.92 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.751 -0.38 . . . . 0.6 111.369 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.58 48.18 4.84 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.393 -0.908 . . . . 0.52 112.396 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.3 m -159.13 134.56 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.743 0.417 . . . . 0.57 109.924 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.556 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 49.3 mt -77.62 93.88 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -179.01 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.52 110.908 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.82 -51.27 49.4 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.643 0.979 . . . . 1.15 113.643 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.44 -47.27 26.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.841 1.694 . . . . 0.63 112.772 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -71.5 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.51 110.62 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.4 t80 -65.22 -38.98 92.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.768 -0.651 . . . . 1.44 110.369 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.57 -51.09 60.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.405 . . . . 0.89 110.725 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -44.58 92.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.036 0.446 . . . . 0.74 110.535 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.748 ' HG2' HD13 ' B' ' 4' ' ' LEU . 6.5 ttp -59.2 -43.22 92.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.71 110.607 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 5.2 tmm? -65.88 -44.81 84.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 1.69 110.422 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.3 69.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.63 110.091 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -70.23 -15.16 62.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.53 -0.759 . . . . 1.45 111.49 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.823 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.1 OUTLIER -116.53 -39.85 3.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.361 -0.536 . . . . 0.86 111.907 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.459 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 2.5 tmm? -51.08 -35.88 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.194 0.521 . . . . 1.68 110.877 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -123.47 31.45 5.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.62 -0.718 . . . . 1.95 110.613 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.42 117.68 14.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 1.41 111.315 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 p -142.71 16.85 1.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.303 -0.862 . . . . 1.45 109.242 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -133.52 30.51 3.81 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.523 -1.288 . . . . 1.78 107.523 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -41.61 110.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.67 -1.604 . . . . 1.1 114.269 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 5.3 tp10 -108.77 -77.05 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.53 -0.915 . . . . 1.86 108.53 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.43 -21.35 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.912 -0.773 . . . . 2.7 108.912 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 7.0 mm-40 -52.17 -41.08 62.31 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.683 -1.144 . . . . 1.27 112.044 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 33.4 mt -56.39 -47.76 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.286 0.565 . . . . 1.5 109.752 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -43.41 96.68 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.584 -0.734 . . . . 2.57 112.005 -178.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.645 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 26.6 tt0 -48.12 -64.84 0.68 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.405 0.621 . . . . 1.47 112.265 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -23.15 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.41 111.622 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 121.092 0.472 . . . . 0.75 110.197 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -79.79 -18.93 49.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 2.35 110.931 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.695 HG21 ' SG ' ' B' ' 5' ' ' CYS . 98.3 t -85.61 -35.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.47 109.836 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -83.97 -44.39 14.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.479 -0.328 . . . . 0.47 110.72 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.15 97.11 9.18 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.735 0.779 . . . . 0.8 109.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -82.33 -32.82 29.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.638 -1.165 . . . . 1.7 111.703 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -75.03 -26.41 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.67 111.539 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.01 35.15 35.65 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.844 -0.693 . . . . 0.72 111.703 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.577 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -101.5 -19.05 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.72 110.193 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.83 21.14 34.54 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 120.802 -0.713 . . . . 0.58 113.548 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 7.6 m-85 -143.36 110.61 5.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 117.036 0.418 . . . . 1.57 110.162 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 5.8 mt -83.36 150.68 4.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 116.42 -0.354 . . . . 0.69 110.667 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.5 p -153.78 -177.5 6.43 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.595 -0.15 . . . . 1.14 110.595 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.02 3.55 4.29 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 122.466 1.127 . . . . 1.3 109.699 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.61 -68.43 0.68 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.269 -1.787 . . . . 0.93 108.51 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.88 -34.9 57.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.846 -1.07 . . . . 0.83 112.224 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.606 HD23 HG13 ' A' ' 121' ' ' VAL . 24.2 tp -61.1 -39.42 89.9 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.934 -0.306 . . . . 0.63 111.127 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -59.61 -43.61 93.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.18 110.329 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -50.42 73.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.783 -0.644 . . . . 0.83 110.795 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.5 t -63.04 -42.03 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.256 0.465 . . . . 0.53 112.256 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -34.96 77.68 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.992 0.425 . . . . 0.86 111.204 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -82.15 -29.75 31.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.95 -0.568 . . . . 0.67 110.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -38.71 80.46 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.88 110.5 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.466 HD22 HD11 ' B' ' 6' ' ' ILE . 56.8 mt -75.4 -33.71 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.93 109.85 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.81 33.88 7.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.998 -0.62 . . . . 0.89 113.16 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.29 164.48 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.217 -0.29 . . . . 1.61 110.217 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -85.23 64.93 8.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.735 0.302 . . . . 1.18 111.787 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.63 128.91 38.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.941 0.4 . . . . 1.27 110.766 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.8 p -90.11 -175.58 4.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.465 -0.568 . . . . 1.04 109.465 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.42 -36.8 85.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 1.38 110.765 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.97 -27.83 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 2.33 110.981 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.97 -32.22 65.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.408 0.623 . . . . 1.86 109.941 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.606 HG13 HD23 ' A' ' 105' ' ' LEU . 54.0 t -65.69 -44.25 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.471 -0.786 . . . . 0.76 110.844 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.82 -36.83 81.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 0.96 111.026 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.423 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.4 tp10 -66.4 -49.51 66.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.734 -0.666 . . . . 1.2 110.447 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.798 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -60.51 -42.11 95.73 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.66 -0.7 . . . . 0.76 109.979 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.7 mm -51.91 -29.41 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 112.709 0.633 . . . . 0.92 112.709 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.455 ' HA ' ' HB3' ' A' ' 129' ' ' ASP . 22.6 mtm105 -84.67 13.93 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.436 0.532 . . . . 0.94 112.436 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -41.96 19.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.886 -0.783 . . . . 2.04 108.886 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -99.98 -13.48 19.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.96 110.521 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.455 ' HB3' ' HA ' ' A' ' 126' ' ' ARG . 39.3 t0 -77.34 99.07 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.87 110.023 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.78 -47.67 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 1.01 111.544 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.74 -18.3 61.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.478 -0.328 . . . . 1.02 111.305 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 49.77 32.76 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.358 -0.925 . . . . 0.94 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -7.7 24.02 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.118 0.485 . . . . 0.95 110.33 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.85 4.52 63.38 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.769 -0.651 . . . . 0.84 111.79 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 11.7 mt-30 -135.96 157.95 45.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.379 0.609 . . . . 1.26 111.432 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.95 114.8 47.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.12 -1.067 . . . . 0.69 108.12 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.685 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 30.9 p30 -92.16 176.26 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.456 -0.497 . . . . 0.97 110.433 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 142' ' ' VAL . 10.7 t80 -54.92 -48.01 73.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.789 -0.641 . . . . 1.35 111.182 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -58.2 -46.1 86.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 2.6 111.44 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.42 -38.51 91.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.8 -0.636 . . . . 0.66 110.689 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.596 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 10.9 t80 -70.26 -40.47 74.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.296 -0.411 . . . . 0.88 110.911 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.1 t -61.71 -49.15 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.277 0.56 . . . . 0.7 110.511 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.96 -6.64 28.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.5 112.088 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.407 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 1.5 tmm? -103.98 -41.1 5.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.33 . . . . 0.89 111.184 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.404 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -85.17 -44.14 13.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 1.47 111.886 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.1 m -83.28 -30.82 27.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.045 -0.525 . . . . 1.07 111.58 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.238 -0.437 . . . . 1.33 110.698 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.554 ' O ' ' HB3' ' B' ' 5' ' ' CYS . 45.4 tpp . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.846 0.355 . . . . 2.55 110.623 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . 0.457 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -86.74 -71.11 0.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 1.88 111.28 -178.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.722 ' SG ' HD21 ' A' ' 32' ' ' LEU . 91.4 m -61.4 -28.93 69.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.387 -0.369 . . . . 0.64 110.592 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' A' ' 75' ' ' LYS . 8.5 tp -75.84 -36.32 59.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.415 -0.357 . . . . 1.25 110.347 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.695 ' SG ' HG21 ' A' ' 91' ' ' VAL . 7.8 p -65.54 -23.35 66.85 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.544 -0.91 . . . . 0.61 108.544 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.81 -39.35 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 108.301 -1.0 . . . . 0.62 108.301 176.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 3' ' ' CYS . 11.1 t -68.69 -34.44 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 108.77 -0.826 . . . . 0.57 108.77 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.404 HG23 ' HD2' ' A' ' 75' ' ' LYS . 3.1 m -71.27 -40.34 70.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.095 -0.502 . . . . 0.63 109.776 177.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -64.33 -36.91 85.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.83 109.504 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.434 ' HE3' ' HB3' ' A' ' 11' ' ' GLU . 4.5 tmtt? -69.8 -37.17 76.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.447 -0.575 . . . . 2.03 109.447 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -66.35 -45.93 78.5 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.345 -0.613 . . . . 1.32 109.345 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.596 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 80.3 t80 -64.35 -36.55 84.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.274 -0.875 . . . . 1.21 109.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.798 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 12.8 ttp85 -82.97 -10.27 58.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.026 -0.534 . . . . 3.1 111.15 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -96.35 -21.62 17.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 1.47 109.204 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -26.81 60.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.307 -0.861 . . . . 1.41 110.428 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -33.24 75.5 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.18 -0.674 . . . . 2.65 109.18 178.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.98 76.43 2.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.955 -1.02 . . . . 4.01 109.877 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -147.99 -62.85 0.26 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.939 0.4 . . . . 3.44 110.132 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.909 -0.567 . . . . 4.48 109.931 179.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.45 -0.448 0 N-CA-C 110.115 -0.328 . . . . 1.25 110.115 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.99 -34.65 70.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.473 -0.331 . . . . 1.97 111.565 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 24.5 mp0 -62.42 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 1.98 110.456 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -51.73 68.34 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.25 -0.648 . . . . 1.62 109.25 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 48.9 mm -52.1 -42.46 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.13 110.308 178.038 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.21 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.678 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 24.2 mt-10 -72.25 -41.55 66.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.257 -0.429 . . . . 1.57 110.178 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -61.5 -31.79 71.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.223 -0.444 . . . . 1.85 109.927 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -58.73 -39.84 82.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 1.5 109.671 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -67.6 -36.77 81.5 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.612 -0.514 . . . . 1.64 109.612 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.12 73.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.954 -0.566 . . . . 0.51 110.191 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -54.75 -45.17 74.13 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.003 0.43 . . . . 1.23 110.083 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -66.21 -17.18 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.77 110.955 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 tp -87.77 -47.81 8.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 1.43 110.271 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' B' ' 6' ' ' ILE . 43.9 m-85 -71.98 -40.38 68.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.66 0.267 . . . . 0.56 111.294 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 12.5 t70 -78.74 138.0 38.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 0.54 111.258 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -141.29 25.76 2.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.73 111.214 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -127.73 -15.53 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.797 -0.361 . . . . 0.57 110.626 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.42 12.88 69.1 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.581 -0.819 . . . . 0.59 112.733 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -88.84 -33.43 17.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.175 0.487 . . . . 0.58 110.636 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.02 -7.14 56.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.282 -0.961 . . . . 0.74 113.432 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.421 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 2.6 m -106.87 148.09 28.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.355 0.598 . . . . 0.47 110.801 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.529 HG23 HD13 ' A' ' 32' ' ' LEU . 1.6 mt -84.13 119.23 32.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.225 -0.898 . . . . 0.41 111.076 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -108.44 -177.59 3.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.235 -0.654 . . . . 0.41 109.235 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -82.21 -37.68 25.67 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.353 0.597 . . . . 0.6 110.355 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -65.96 -32.32 73.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.303 -0.862 . . . . 2.22 111.839 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.583 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.3 mt-10 -72.63 -54.09 10.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.834 0.35 . . . . 0.42 111.29 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.719 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.8 mp -64.94 -35.11 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.716 -0.476 . . . . 0.5 109.716 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.42 -40.07 93.76 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.967 -0.853 . . . . 0.5 110.967 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.8 m -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.143 -0.528 . . . . 0.6 110.953 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 21.3 t -63.93 -37.82 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.184 0.516 . . . . 0.63 110.406 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.48 ' HA ' HD12 ' A' ' 39' ' ' LEU . 11.1 ttm -69.22 -14.41 62.95 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.667 -0.697 . . . . 1.07 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.725 0.774 . . . . 1.82 109.071 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.98 -10.98 60.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.368 -0.833 . . . . 0.8 110.796 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 36' ' ' MET . 62.4 mt -81.03 -10.76 59.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.641 . . . . 0.86 110.432 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.86 13.89 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.057 -0.817 . . . . 0.89 111.057 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.2 158.29 28.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.39 . . . . 1.25 110.393 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.93 82.63 25.17 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.794 -0.639 . . . . 1.37 109.585 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 44.2 Cg_endo -87.98 149.02 6.97 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.683 2.255 . . . . 0.74 112.669 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.548 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -105.52 -176.11 2.98 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.105 -0.498 . . . . 1.04 110.633 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -47.86 -31.49 5.11 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.097 0.873 . . . . 2.18 113.146 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.89 -45.3 51.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.294 0.569 . . . . 0.63 111.109 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 44' ' ' THR . 3.1 mp0 -75.5 -42.27 53.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.763 -0.653 . . . . 1.57 110.438 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 52' ' ' ILE . 32.1 mt -59.07 -25.08 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.353 -0.839 . . . . 0.64 110.807 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -89.48 -33.81 16.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.762 -0.458 . . . . 1.26 109.762 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.19 -44.48 83.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.591 -0.731 . . . . 1.38 110.702 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.443 ' SD ' ' HG3' ' B' ' 1' ' ' MET . 5.9 mmt -60.66 -44.77 96.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 1.38 110.512 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 48' ' ' LEU . 42.7 mm -68.19 -46.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 0.48 111.46 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.44 -33.19 65.63 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.394 0.678 . . . . 1.4 112.735 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' OE1' ' HA ' ' B' ' 1' ' ' MET . 6.8 tm-20 -63.03 -31.66 72.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 2.84 110.202 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 t -92.24 -42.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.82 110.965 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.493 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 4.5 t70 -64.47 126.85 29.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.217 -0.901 . . . . 0.55 112.64 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.41 -7.8 2.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.449 -0.796 . . . . 0.68 110.133 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.78 -9.85 54.91 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.984 -0.553 . . . . 0.74 110.478 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.9 42.49 25.13 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 115.991 -0.549 . . . . 0.9 113.325 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -23.47 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.91 0.386 . . . . 0.6 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 48.98 7.67 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.145 -0.55 . . . . 0.52 112.819 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -161.49 132.07 5.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.639 0.376 . . . . 0.57 110.804 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 3.5 mt -70.97 100.15 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.002 -0.74 . . . . 0.46 109.002 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.0 -178.39 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.52 111.997 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -64.95 -47.06 74.81 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.625 -0.716 . . . . 1.15 112.721 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 -43.67 57.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.106 1.871 . . . . 0.63 112.126 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 71' ' ' MET . 29.9 mt-10 -75.28 -28.86 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.614 . . . . 0.51 110.846 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.31 -45.58 92.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.315 -0.624 . . . . 1.44 109.315 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -63.99 -46.24 85.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.784 -0.644 . . . . 0.89 110.412 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -62.99 -47.24 84.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 0.74 110.445 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.564 ' HG2' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.14 -38.68 87.27 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.44 -0.8 . . . . 0.71 110.885 179.161 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.564 ' N ' ' HG2' ' A' ' 71' ' ' MET . 5.1 ttm -68.32 -43.08 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 1.69 110.893 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.67 71.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.052 0.453 . . . . 0.63 110.176 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 6.7 ttm180 -67.58 -24.47 65.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.621 . . . . 1.45 110.948 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -20.58 13.28 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.111 0.412 . . . . 0.86 112.111 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.8 ttm -63.64 -56.66 14.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.3 0.571 . . . . 1.68 110.637 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -107.67 38.01 2.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.395 -0.82 . . . . 1.95 110.328 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.07 111.01 1.76 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.122 -0.944 . . . . 1.41 110.581 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.83 5.8 0.69 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.883 0.849 . . . . 1.45 110.098 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.4 33.61 3.56 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.381 -1.711 . . . . 1.78 106.381 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.453 ' CB ' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -43.01 119.93 1.65 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.513 -1.676 . . . . 1.1 113.113 -178.06 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -108.9 -50.56 2.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.984 -1.007 . . . . 1.86 109.713 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -115.54 -24.86 8.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.722 -0.672 . . . . 2.7 110.706 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -51.42 -47.68 62.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.363 -0.835 . . . . 1.27 111.349 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 93.9 mt -52.63 -51.31 35.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-O 120.886 0.374 . . . . 1.5 110.211 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -66.59 -45.93 77.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 2.57 110.79 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.662 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 1.6 tt0 -53.9 -61.04 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.111 0.564 . . . . 1.47 111.924 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.19 -25.9 68.28 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.637 0.256 . . . . 0.41 111.27 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -73.71 -40.69 63.41 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.178 0.513 . . . . 0.75 109.722 -179.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -65.21 -34.36 78.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.475 -0.784 . . . . 2.35 111.235 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.766 HG21 ' SG ' ' B' ' 5' ' ' CYS . 93.1 t -75.42 -36.77 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.042 -0.526 . . . . 0.47 111.645 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -81.04 -28.97 35.18 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.086 0.47 . . . . 0.47 110.373 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -99.43 95.36 6.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.8 110.95 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 35.1 tttm -84.2 -22.1 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.103 0.409 . . . . 1.7 112.103 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -84.51 -22.15 30.3 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.37 -0.532 . . . . 0.67 111.998 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.33 27.27 59.94 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.423 -0.418 . . . . 0.72 113.311 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -93.33 -13.42 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.547 -0.384 . . . . 0.72 111.026 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.36 31.67 27.3 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.58 112.857 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 5.0 m-85 -145.21 116.91 8.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.094 -0.335 . . . . 1.57 110.094 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 mt -90.41 123.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.932 -0.396 . . . . 0.69 109.932 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.555 ' HB3' ' HG2' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -135.27 -164.65 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.234 -0.291 . . . . 1.14 111.072 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.62 17.7 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.309 1.052 . . . . 1.3 109.584 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -89.03 -83.33 0.23 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.688 -1.596 . . . . 0.93 111.061 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.5 mp0 -75.03 -28.7 60.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.104 -0.498 . . . . 0.83 112.275 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.74 -36.62 83.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.456 0.646 . . . . 0.63 110.498 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -60.75 -31.74 71.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.189 -0.914 . . . . 1.18 110.445 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.78 -54.82 5.48 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.83 110.321 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 104' ' ' GLU . 30.4 t -49.81 -48.31 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.083 0.553 . . . . 0.53 111.967 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -49.94 74.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.772 0.32 . . . . 0.86 111.478 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -70.16 -29.81 66.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.989 0.423 . . . . 0.67 111.285 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -73.22 -44.55 59.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.092 -0.503 . . . . 0.88 110.909 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.1 -35.65 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.93 110.29 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.11 13.1 14.07 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.715 -0.755 . . . . 0.89 112.762 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.56 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 0.5 OUTLIER -69.79 146.45 51.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.45 0.643 . . . . 1.61 110.828 -179.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.61 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -81.97 56.11 3.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.346 -0.843 . . . . 1.18 110.681 -178.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -123.49 126.9 47.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 1.27 111.429 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 121' ' ' VAL . 5.8 p -90.2 179.32 5.94 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.362 -0.835 . . . . 1.04 110.793 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.84 -42.23 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 1.38 110.147 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.14 -25.97 67.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.335 -0.848 . . . . 2.33 109.741 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.7 -40.29 23.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 1.86 109.236 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' THR . 55.2 t -59.09 -42.53 86.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.76 110.188 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.74 -29.83 66.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.96 110.762 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -70.73 -49.08 50.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.61 -0.723 . . . . 1.2 110.264 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.792 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 13.4 ttt -64.23 -38.8 92.36 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.874 -0.603 . . . . 0.76 110.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.3 mm -51.43 -27.99 7.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.113 0.412 . . . . 0.92 112.113 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -87.65 23.87 1.85 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.327 0.491 . . . . 0.94 112.327 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -40.13 12.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.599 -0.519 . . . . 2.04 109.599 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.54 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -106.66 -15.34 14.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.96 110.772 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -75.42 89.72 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.578 -0.737 . . . . 0.87 110.486 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.5 mm -84.24 -36.58 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.365 -0.834 . . . . 1.01 110.827 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -63.75 -28.61 70.0 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.275 -0.42 . . . . 1.02 111.44 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.01 33.58 29.16 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.458 -0.657 . . . . 0.94 111.458 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -22.8 16.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.594 0.235 . . . . 0.95 110.497 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.9 12.13 55.78 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.949 -0.643 . . . . 0.84 113.275 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.555 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 26.4 mt-30 -136.03 113.04 10.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.793 0.33 . . . . 1.26 110.176 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -78.27 113.35 17.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.112 -0.495 . . . . 0.69 109.719 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 36.5 p30 -92.93 -169.87 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.023 0.44 . . . . 0.97 111.1 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -57.13 -55.01 40.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.782 -0.644 . . . . 1.35 111.73 -178.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 0.4 OUTLIER -58.85 -49.19 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 2.6 111.663 -177.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.43 -43.61 88.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.097 -0.501 . . . . 0.66 111.102 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.502 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 68.3 t80 -68.05 -42.66 80.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.411 . . . . 0.88 111.491 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 138' ' ' TYR . 61.3 t -59.03 -47.25 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.7 110.805 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 139' ' ' GLU . 42.3 mt-30 -69.19 -8.91 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.368 0.507 . . . . 1.5 112.368 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.54 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.6 tmm? -103.47 -37.75 7.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 0.89 111.858 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.631 ' SD ' HG22 ' B' ' 8' ' ' THR . 42.4 ttp -93.77 -45.22 7.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.763 0.316 . . . . 1.47 111.785 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -81.37 -17.3 49.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.076 0.465 . . . . 1.07 112.021 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.583 -0.28 . . . . 1.33 110.711 179.494 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.501 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.8 mtp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.432 0.634 . . . . 2.55 110.112 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 2' ' ' ASP . 0.0 OUTLIER -61.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.948 -1.024 . . . . 1.88 111.034 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.73 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 84.9 m -59.83 -31.02 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.512 0.672 . . . . 0.64 110.242 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.662 ' HB3' ' OE2' ' A' ' 87' ' ' GLU . 3.3 mm? -67.51 -52.55 37.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 1.25 111.508 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.766 ' SG ' HG21 ' A' ' 91' ' ' VAL . 15.3 p -61.28 -21.53 64.01 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.725 -0.472 . . . . 0.61 109.725 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.763 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.97 -46.93 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 107.595 -1.261 . . . . 0.62 107.595 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.61 -42.46 96.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 109.604 -0.517 . . . . 0.57 109.604 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.631 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -64.8 -41.9 95.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.63 110.674 179.21 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.8 m -61.39 -45.4 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.83 109.926 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 11' ' ' GLU . 12.6 mmtt -65.14 -36.98 85.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.193 -0.458 . . . . 2.03 110.135 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -66.89 -45.54 77.69 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.247 -0.433 . . . . 1.32 109.861 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 91.6 t80 -63.31 -40.61 97.82 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.075 -0.343 . . . . 1.21 110.075 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.792 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.11 -39.58 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.316 -0.402 . . . . 3.1 110.346 178.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -64.78 -35.29 80.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.097 0.475 . . . . 1.47 110.001 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -23.93 62.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.467 -0.788 . . . . 1.41 111.755 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -40.26 94.49 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.744 0.307 . . . . 2.65 110.781 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.65 84.12 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.556 -0.905 . . . . 4.01 108.556 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -146.6 -66.83 0.28 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.077 -0.51 . . . . 3.44 112.0 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.826 -0.607 . . . . 4.48 110.717 -179.185 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 CA-C-O 120.72 0.295 . . . . 1.25 111.501 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.12 -24.61 66.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 1.97 111.394 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.48 -44.27 96.09 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.25 -0.648 . . . . 1.98 109.25 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.55 -45.84 88.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 1.62 109.967 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm -55.63 -36.84 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.195 0.521 . . . . 1.13 109.833 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -67.89 -35.16 78.02 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.676 -0.693 . . . . 0.74 110.124 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.89 -47.63 58.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.119 -0.491 . . . . 1.57 110.311 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -56.18 -29.34 60.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.513 -0.312 . . . . 1.85 111.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 1.1 ttpm? -53.01 -34.29 55.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.086 -0.506 . . . . 1.5 110.675 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -39.96 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.595 -0.73 . . . . 1.64 109.729 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.63 80.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.579 . . . . 0.51 110.088 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -52.24 -46.22 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.276 0.36 . . . . 1.23 110.693 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -73.6 -12.04 60.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.126 0.489 . . . . 0.77 110.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.07 -51.56 5.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.8 -0.444 . . . . 1.43 109.8 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.711 ' CE2' HD12 ' B' ' 6' ' ' ILE . 41.1 m-85 -69.36 -40.66 77.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.582 -0.281 . . . . 0.56 110.79 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.85 137.53 41.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.54 110.808 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -142.22 21.05 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.066 -0.515 . . . . 0.73 110.667 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -127.55 -16.0 4.91 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.433 -0.349 . . . . 0.57 111.341 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.18 21.11 57.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 0.59 112.211 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -26.13 16.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.026 0.441 . . . . 0.58 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -5.17 76.41 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.985 -0.626 . . . . 0.74 113.559 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -110.44 154.74 23.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.174 0.512 . . . . 0.47 111.307 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.605 HG21 HD12 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -90.32 132.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.359 -0.837 . . . . 0.41 111.07 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -123.04 179.66 4.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.203 -0.666 . . . . 0.41 109.203 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -32.63 31.49 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.496 0.665 . . . . 0.6 110.105 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -76.39 -32.95 58.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 2.22 112.245 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.604 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.3 mt-10 -71.53 -50.5 30.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.938 -0.476 . . . . 0.42 111.283 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.599 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.8 mp -65.79 -31.12 71.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.133 0.492 . . . . 0.5 109.868 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.23 88.71 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.307 -0.717 . . . . 0.5 111.307 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -62.36 -43.52 98.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.84 -0.18 . . . . 0.6 111.103 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -65.55 -38.4 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 121.262 0.554 . . . . 0.63 109.754 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtm -69.12 -9.88 54.94 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.529 -0.76 . . . . 1.07 111.565 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -86.74 -40.85 14.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.06 -0.719 . . . . 1.82 109.06 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -72.71 -12.35 60.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.241 -0.89 . . . . 0.8 111.64 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.15 6.45 25.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.86 110.108 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.0 26.84 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.848 -0.691 . . . . 0.89 111.486 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -137.74 156.85 47.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.615 -0.513 . . . . 1.25 109.615 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -139.13 85.06 16.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 120.939 0.4 . . . . 1.37 110.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -89.94 142.51 3.92 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 122.901 2.401 . . . . 0.74 112.214 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.456 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -95.99 -177.23 3.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.116 -0.493 . . . . 1.04 109.874 178.011 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.2 -30.47 6.99 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.007 1.114 . . . . 2.18 114.007 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.5 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.295 0.569 . . . . 0.63 110.524 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 44' ' ' THR . 2.8 mp0 -76.19 -38.32 56.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 1.57 109.623 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 52' ' ' ILE . 40.5 mt -56.72 -34.0 67.06 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.64 111.222 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -88.99 -29.8 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.75 -0.463 . . . . 1.26 109.75 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.9 -43.01 90.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.831 -0.803 . . . . 1.38 108.831 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 18.7 mmt -58.25 -51.34 70.17 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.014 -0.993 . . . . 1.38 110.606 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 48' ' ' LEU . 40.3 mm -60.42 -35.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.677 . . . . 0.48 111.659 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -53.6 -36.55 62.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.672 0.619 . . . . 1.4 112.672 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -30.32 69.74 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.364 0.602 . . . . 2.84 110.524 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.2 t -95.73 -49.52 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.824 -0.625 . . . . 0.82 110.874 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.65 124.54 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.314 -0.857 . . . . 0.55 111.668 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.42 -8.36 3.72 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.578 -0.737 . . . . 0.68 110.187 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -19.97 24.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.628 . . . . 0.74 110.751 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 53.08 3.11 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.559 -0.829 . . . . 0.9 111.779 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.031 -0.268 . . . . 0.6 110.813 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.53 39.66 4.38 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.38 -0.914 . . . . 0.52 112.4 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 m -154.95 133.82 12.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.765 0.317 . . . . 0.57 110.881 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.605 HD12 HG21 ' A' ' 27' ' ' ILE . 61.7 mt -75.72 98.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 108.738 -0.838 . . . . 0.46 108.738 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.5 p30 -103.24 178.93 4.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.52 112.151 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 68.1 t80 -67.19 -48.89 47.03 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.654 -0.703 . . . . 1.15 112.746 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.2 Cg_exo -52.76 -54.01 5.86 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.848 1.699 . . . . 0.63 112.55 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -65.14 -27.78 68.97 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.054 -0.258 . . . . 0.51 110.845 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.2 t80 -61.2 -34.5 75.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.72 0.638 . . . . 1.44 109.947 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.37 -55.55 15.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.374 -0.375 . . . . 0.89 110.472 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -39.23 90.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.74 110.728 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 1.014 ' HG2' HD21 ' B' ' 4' ' ' LEU . 6.2 ttp -58.05 -51.5 69.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.102 -0.954 . . . . 0.71 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.468 ' SD ' HG13 ' B' ' 7' ' ' VAL . 2.7 tmm? -67.14 -38.76 86.09 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.32 -0.855 . . . . 1.69 110.844 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.24 73.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.73 0.3 . . . . 0.63 111.76 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -72.19 -34.39 68.37 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.487 -0.324 . . . . 1.45 111.31 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.906 ' HE3' HD22 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -102.58 11.86 37.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.86 111.693 -178.722 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 16.9 ttm -83.28 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.502 0.667 . . . . 1.68 109.871 179.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -126.93 48.43 2.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.608 -0.724 . . . . 1.95 109.284 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -53.37 123.45 12.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.913 -1.039 . . . . 1.41 111.002 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.32 25.76 1.86 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.849 -1.069 . . . . 1.45 108.387 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -137.27 25.76 2.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 113.885 -1.507 . . . . 1.78 107.275 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -35.1 104.09 0.03 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 113.519 -1.673 . . . . 1.1 114.248 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -126.91 -66.8 0.88 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.909 -1.041 . . . . 1.86 109.462 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.44 -34.8 12.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.087 0.47 . . . . 2.7 110.163 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.701 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 1.2 pm0 -60.73 -42.58 97.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.313 -0.858 . . . . 1.27 111.184 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.64 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -58.87 -39.55 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.18 -0.674 . . . . 1.5 109.18 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -43.57 55.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.768 -0.651 . . . . 2.57 109.985 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' HA ' ' B' ' 5' ' ' CYS . 0.1 OUTLIER -54.68 -54.53 40.54 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.184 -0.462 . . . . 1.47 111.449 179.081 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.06 64.27 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.819 0.343 . . . . 0.41 110.918 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.64 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -77.14 -38.37 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.144 -0.687 . . . . 0.75 109.144 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -72.07 -36.78 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 2.35 111.188 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.744 HG21 ' SG ' ' B' ' 5' ' ' CYS . 91.4 t -69.94 -37.27 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.375 -0.375 . . . . 0.47 110.201 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -79.39 -31.13 42.74 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.795 0.331 . . . . 0.47 111.358 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.23 87.61 5.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.8 110.559 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -77.51 -24.01 50.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 1.7 111.928 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -84.0 -20.2 33.22 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.262 -0.575 . . . . 0.67 110.773 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.45 65.91 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.099 -0.572 . . . . 0.72 113.09 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.3 -17.27 23.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.18 0.49 . . . . 0.72 110.964 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.61 3.96 59.44 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.583 -0.818 . . . . 0.58 113.356 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.25 117.81 23.01 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.566 -0.373 . . . . 1.57 110.456 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 mt -95.71 139.07 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.69 110.975 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.3 p -151.62 -168.34 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.637 -0.505 . . . . 1.14 109.637 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 8.94 1.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.948 0.88 . . . . 1.3 110.43 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -76.74 -81.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.828 -1.533 . . . . 0.93 110.292 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -76.24 -27.19 56.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.83 112.187 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.06 -39.76 93.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.466 0.65 . . . . 0.63 110.108 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.19 -42.32 90.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.579 -0.737 . . . . 1.18 111.099 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.52 -42.7 78.15 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.83 111.223 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 104' ' ' GLU . 45.2 t -64.07 -37.19 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.886 0.374 . . . . 0.53 110.091 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -41.78 93.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.86 109.914 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -72.81 -33.32 66.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.67 110.615 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -44.41 75.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.88 110.518 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.11 -27.79 64.87 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.93 110.551 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.78 35.6 24.64 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.238 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 164.76 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.697 0.284 . . . . 1.61 110.351 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -83.76 58.96 4.91 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.019 0.438 . . . . 1.18 111.134 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.633 HD11 ' HD2' ' B' ' 13' ' ' ARG . 5.8 mp -134.25 123.22 23.9 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.27 110.875 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.7 p -96.13 -170.47 2.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.171 -0.468 . . . . 1.04 109.912 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -55.95 -49.03 74.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.917 0.389 . . . . 1.38 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.72 -35.17 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.733 -0.667 . . . . 2.33 111.516 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.81 -34.87 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 1.86 111.166 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 117' ' ' THR . 59.3 t -65.32 -43.65 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.397 0.618 . . . . 0.76 109.789 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.26 -40.24 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.96 110.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.6 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 19.0 tp10 -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 1.2 110.164 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.756 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 17.4 ttt -66.98 -39.04 87.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.825 -0.625 . . . . 0.76 110.859 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -53.52 -28.25 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.071 0.463 . . . . 0.92 111.83 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.6 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 22.4 mtm105 -84.55 13.45 5.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 0.94 112.427 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.808 -0.812 . . . . 2.04 108.808 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.51 -19.15 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.96 110.759 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.459 ' HA ' ' OE2' ' A' ' 140' ' ' GLU . 5.4 t70 -73.78 99.36 3.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.295 0.569 . . . . 0.87 110.583 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.7 mm -99.24 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.696 -0.684 . . . . 1.01 111.498 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -76.14 -18.74 58.99 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.78 0.289 . . . . 1.02 111.78 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.74 46.32 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.899 -0.667 . . . . 0.94 111.44 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 -30.65 5.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.611 0.243 . . . . 0.95 110.774 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.59 -11.26 46.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.577 -0.82 . . . . 0.84 113.709 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.29 121.57 44.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.267 0.533 . . . . 1.26 110.236 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.22 113.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.148 -0.478 . . . . 0.69 110.238 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -95.4 174.52 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.451 -0.34 . . . . 0.97 110.586 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 142' ' ' VAL . 1.0 OUTLIER -49.67 -52.11 33.37 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 122.786 0.435 . . . . 1.35 111.911 -178.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.24 -48.04 74.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 2.6 111.019 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 144' ' ' MET . 43.1 mt-10 -65.19 -36.42 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.66 111.178 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.467 ' HE1' ' CE1' ' B' ' 12' ' ' TYR . 2.8 t80 -72.94 -43.12 62.73 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.12 -0.232 . . . . 0.88 110.636 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 138' ' ' TYR . 74.0 t -61.94 -50.55 79.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.183 0.516 . . . . 0.7 110.46 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.21 -19.1 62.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.02 -0.991 . . . . 1.5 111.791 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 1.0 OUTLIER -104.27 -21.7 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.107 0.41 . . . . 0.89 112.107 -178.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 44.0 mmm -88.61 -54.0 4.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.275 -0.266 . . . . 1.47 110.972 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -81.07 -41.73 22.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 1.07 111.22 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.334 -0.394 . . . . 1.33 111.134 -179.691 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.637 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.185 -0.302 . . . . 2.55 110.185 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . 0.491 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -28.56 -75.84 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.026 1.491 . . . . 1.88 115.026 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.599 ' SG ' HD21 ' A' ' 32' ' ' LEU . 72.6 m -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.398 0.518 . . . . 0.64 112.398 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 1.014 HD21 ' HG2' ' A' ' 71' ' ' MET . 6.4 mt -76.94 -42.86 37.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.169 0.433 . . . . 1.25 112.169 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.744 ' SG ' HG21 ' A' ' 91' ' ' VAL . 31.6 p -63.08 -25.81 68.54 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.353 -0.98 . . . . 0.61 108.353 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.711 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -65.84 -42.18 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.498 -1.297 . . . . 0.62 107.498 176.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 3' ' ' CYS . 41.9 t -63.45 -45.22 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.539 -0.755 . . . . 0.57 109.832 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -67.53 -36.67 81.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.063 -0.517 . . . . 0.63 110.424 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.607 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.2 m -65.36 -34.95 79.52 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.81 -0.811 . . . . 0.83 108.81 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -69.22 -35.19 75.92 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.801 -0.636 . . . . 2.03 109.59 178.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -68.44 -48.7 63.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.2 -0.667 . . . . 1.32 109.2 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.467 ' CE1' ' HE1' ' A' ' 141' ' ' PHE . 72.1 t80 -61.42 -41.75 97.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.358 -0.837 . . . . 1.21 108.868 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.756 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -70.4 -15.16 62.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.497 -0.774 . . . . 3.1 110.604 179.17 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 2.1 t80 -90.27 -23.57 21.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.775 -0.648 . . . . 1.47 109.435 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' B' ' 15' ' ' GLN . 0.5 OUTLIER -74.47 -22.15 59.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.347 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -35.54 81.35 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.384 -0.969 . . . . 2.65 108.384 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -76.58 76.8 3.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.605 -1.179 . . . . 4.01 110.071 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -161.53 -34.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.462 -0.495 . . . . 3.44 112.194 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.722 -0.656 . . . . 4.48 110.783 -179.854 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.542 0 N-CA-C 110.639 -0.134 . . . . 1.25 110.639 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.96 -37.79 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.97 111.364 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp0 -60.42 -45.54 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 1.98 110.724 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -60.17 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.759 -0.46 . . . . 1.62 109.759 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.91 -40.94 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.704 -0.68 . . . . 1.13 110.604 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.47 86.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.995 0.426 . . . . 0.74 110.824 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 56.9 mt-10 -67.69 -47.58 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 1.57 109.973 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 19.3 m-85 -63.66 -32.01 73.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.379 -0.373 . . . . 1.85 111.046 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -56.24 -37.79 70.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.293 -0.632 . . . . 1.5 109.293 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.85 -39.46 72.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.236 -0.893 . . . . 1.64 110.228 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -47.19 86.77 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.304 -0.628 . . . . 0.51 109.304 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -35.8 71.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.175 -0.92 . . . . 1.23 109.974 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -70.68 -23.12 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.663 -0.699 . . . . 0.77 111.816 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -90.34 -31.99 16.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.461 -0.496 . . . . 1.43 110.225 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -72.16 -45.11 61.75 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.275 0.56 . . . . 0.56 110.221 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.88 143.71 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.501 -0.772 . . . . 0.54 111.504 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -139.86 14.57 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.73 110.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -123.84 -20.43 5.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.887 0.328 . . . . 0.57 111.887 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.5 21.0 59.12 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.147 -0.549 . . . . 0.59 112.387 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -22.62 20.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.373 -0.487 . . . . 0.58 110.365 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.19 5.71 65.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.647 -0.787 . . . . 0.74 113.14 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 143.56 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.108 0.454 . . . . 0.47 111.004 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.806 HG21 HG13 ' A' ' 63' ' ' ILE . 1.9 mt -76.09 140.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.41 110.391 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -128.18 -179.12 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.3 -0.63 . . . . 0.41 109.3 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -37.91 31.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.624 0.726 . . . . 0.6 110.934 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -74.61 -26.85 60.18 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.403 -0.817 . . . . 2.22 111.939 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -75.01 -50.43 16.58 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.09 0.472 . . . . 0.42 110.505 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.808 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.3 mp -67.07 -38.0 85.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.5 111.154 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.89 -34.04 70.42 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.789 -0.719 . . . . 0.5 112.144 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.8 m -63.59 -40.14 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.761 -0.459 . . . . 0.6 109.761 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.46 -45.03 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.943 0.401 . . . . 0.63 111.015 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.512 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -67.57 -11.85 59.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 1.07 110.432 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -82.54 -41.59 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.735 -0.839 . . . . 1.82 108.735 179.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . 0.537 ' HB2' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -71.24 -15.37 62.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.8 110.996 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -79.46 -1.85 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.139 -0.482 . . . . 0.86 110.962 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.28 25.12 27.11 Favored Glycine 0 CA--C 1.503 -0.661 0 C-N-CA 121.065 -0.588 . . . . 0.89 112.277 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.547 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 37.1 mt-30 -127.94 144.76 51.1 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 1.25 109.444 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -134.64 90.87 22.33 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.415 -0.587 . . . . 1.37 109.415 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 19.7 Cg_endo -89.57 153.7 5.27 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.722 2.948 . . . . 0.74 112.8 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.69 174.31 8.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.089 -0.338 . . . . 1.04 110.089 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -56.15 -27.23 53.43 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.682 0.277 . . . . 2.18 110.791 179.447 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' ASP . . . -70.51 -39.61 74.02 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.206 0.527 . . . . 0.63 109.642 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.42 -40.53 61.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.768 -0.651 . . . . 1.57 110.195 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 52' ' ' ILE . 54.2 mt -64.98 -22.03 66.94 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.562 -0.744 . . . . 0.64 110.955 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 1.5 tp-100 -90.08 -42.92 10.83 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.36 -0.978 . . . . 1.26 108.36 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.5 t70 -59.06 -41.98 89.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.749 -1.114 . . . . 1.38 110.228 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.2 mmt -54.06 -49.39 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.35 -0.841 . . . . 1.38 111.269 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 48' ' ' LEU . 19.1 mm -68.23 -31.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 0.48 111.541 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.17 -27.21 66.94 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.443 0.64 . . . . 1.4 111.776 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 12.1 mm-40 -82.39 6.98 15.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.886 -0.597 . . . . 2.84 111.283 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.706 HG11 HD13 ' A' ' 63' ' ' ILE . 90.3 t -130.51 -41.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.644 0.735 . . . . 0.82 109.493 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 7.8 t70 -70.18 135.36 49.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.902 -1.045 . . . . 0.55 110.562 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.9 -14.98 3.46 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.01 -0.541 . . . . 0.68 110.813 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.512 ' OD1' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -79.73 -23.63 42.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.74 110.257 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 40.36 4.95 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.794 -0.717 . . . . 0.9 112.232 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.512 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -120.05 -23.61 6.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 0.6 110.496 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 73.3 52.47 8.66 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.971 -0.633 . . . . 0.52 112.371 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.1 m -160.14 126.05 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.411 0.284 . . . . 0.57 110.529 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.806 HG13 HG21 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.49 102.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.115 -0.698 . . . . 0.46 109.115 178.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.2 p30 -106.1 178.64 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.52 110.194 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.08 -48.25 70.94 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 112.842 0.682 . . . . 1.15 112.842 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -54.28 -45.41 41.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 121.873 1.716 . . . . 0.63 112.245 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -75.83 -30.08 58.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.953 -0.388 . . . . 0.51 109.953 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.598 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.0 t80 -59.9 -40.98 90.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.969 -0.56 . . . . 1.44 110.5 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.29 -54.6 19.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.89 111.746 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -60.47 -47.78 84.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.327 0.584 . . . . 0.74 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.758 ' HG3' HD22 ' B' ' 4' ' ' LEU . 1.6 ttp -60.77 -40.88 94.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.01 -0.996 . . . . 0.71 110.733 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.598 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 4.5 tmm? -66.03 -57.16 8.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 1.69 110.35 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.99 -28.07 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.116 -0.493 . . . . 0.63 111.439 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.735 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -76.11 -15.61 60.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.224 0.453 . . . . 1.45 112.224 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.53 ' NZ ' ' HG ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -113.17 -34.24 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.274 -0.57 . . . . 0.86 112.149 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.594 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 7.5 tmm? -61.75 -40.69 96.02 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.649 0.262 . . . . 1.68 110.324 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -112.12 20.96 16.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.71 0.29 . . . . 1.95 110.777 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.735 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.3 t70 -69.04 135.41 50.8 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.246 0.546 . . . . 1.41 111.678 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.46 21.66 1.18 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.163 -0.926 . . . . 1.45 109.866 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.96 26.89 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.376 -0.972 . . . . 1.78 108.376 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -41.59 124.01 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 113.365 -1.743 . . . . 1.1 114.014 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -121.7 -46.86 2.22 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.138 0.494 . . . . 1.86 109.693 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.299 -0.41 . . . . 2.7 110.916 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 2.0 pm0 -53.14 -37.37 61.75 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.63 0.581 . . . . 1.27 110.985 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.651 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 45.1 mt -53.97 -49.97 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 121.338 0.59 . . . . 1.5 109.92 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -47.47 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.347 -0.842 . . . . 2.57 110.589 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.434 ' OE2' ' HG2' ' B' ' 1' ' ' MET . 3.2 tt0 -48.41 -62.25 1.59 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.735 -0.666 . . . . 1.47 112.113 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -21.14 65.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 111.732 0.271 . . . . 0.41 111.732 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.651 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.39 -37.52 65.94 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 109.629 -0.508 . . . . 0.75 109.629 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -75.98 -28.94 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 2.35 110.245 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.74 HG21 ' SG ' ' B' ' 5' ' ' CYS . 79.8 t -74.1 -37.27 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.051 0.453 . . . . 0.47 109.976 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -82.97 -48.06 11.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.902 -0.59 . . . . 0.47 111.073 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.36 111.32 16.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.271 0.557 . . . . 0.8 109.791 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 38.4 tttm -97.41 -31.29 12.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.799 -0.637 . . . . 1.7 111.864 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -75.2 -19.21 59.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.318 . . . . 0.67 110.54 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.09 78.51 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.819 -0.705 . . . . 0.72 112.198 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.525 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -85.53 -18.52 33.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.493 0.187 . . . . 0.72 110.876 -178.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.8 27.16 24.92 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.589 -0.815 . . . . 0.58 113.426 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HB2' HD21 ' A' ' 97' ' ' ASN . 12.5 m-85 -144.69 113.16 6.61 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.909 0.385 . . . . 1.57 110.263 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 33.5 mt -89.75 139.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.588 . . . . 0.69 111.071 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 103' ' ' ALA . 4.2 p -152.55 -170.71 3.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.274 -0.269 . . . . 1.14 110.274 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.63 9.81 1.3 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.644 1.211 . . . . 1.3 109.414 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -82.1 -77.28 0.23 Allowed 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.341 -1.754 . . . . 0.93 109.631 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.9 mt-10 -80.89 -32.55 34.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.461 -0.79 . . . . 0.83 113.006 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.489 HD23 HG13 ' A' ' 121' ' ' VAL . 1.3 tp -59.22 -40.55 86.22 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.21 0.528 . . . . 0.63 110.697 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -57.29 -43.36 83.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.895 -1.048 . . . . 1.18 110.254 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.18 -47.27 86.94 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.83 110.732 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 104' ' ' GLU . 5.9 t -62.13 -46.5 96.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 111.82 0.304 . . . . 0.53 111.82 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.38 92.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.793 0.33 . . . . 0.86 111.215 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -71.88 -26.52 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.67 110.612 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . 0.537 ' OD1' ' HB2' ' A' ' 38' ' ' SER . 1.2 t-20 -79.56 -45.65 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.507 -0.315 . . . . 0.88 110.789 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.89 -43.91 97.88 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.297 0.57 . . . . 0.93 110.391 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.05 33.76 1.6 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.177 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.445 ' OE2' ' HD3' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -77.6 157.69 30.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.142 0.496 . . . . 1.61 110.692 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -90.53 28.25 1.53 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.963 -0.562 . . . . 1.18 110.962 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -109.04 122.94 48.33 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.187 0.44 . . . . 1.27 112.187 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 -171.95 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 1.04 109.737 177.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.51 -45.34 94.16 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.864 0.32 . . . . 1.38 111.864 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.26 -33.78 76.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.847 0.356 . . . . 2.33 110.671 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.17 -33.31 63.43 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.512 -0.767 . . . . 1.86 108.985 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.489 HG13 HD23 ' A' ' 105' ' ' LEU . 3.5 t -65.41 -44.79 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.76 109.349 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.59 -47.07 77.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.836 0.351 . . . . 0.96 110.24 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -57.45 -40.62 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 1.2 110.484 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.735 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 10.7 ttt -69.92 -44.53 69.45 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.433 -0.349 . . . . 0.76 110.903 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.91 -28.66 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 120.993 0.425 . . . . 0.92 111.442 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.13 17.67 0.75 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.484 0.55 . . . . 0.94 112.484 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -40.26 12.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.498 -0.556 . . . . 2.04 109.498 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.45 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -101.98 -22.64 14.25 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.947 -0.569 . . . . 0.96 111.244 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.49 103.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.153 -0.476 . . . . 0.87 109.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 128' ' ' ALA . 23.1 mm -97.36 -28.36 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.974 -0.557 . . . . 1.01 111.199 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -75.88 -22.65 55.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.904 0.383 . . . . 1.02 111.758 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.89 29.33 54.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.634 -0.793 . . . . 0.94 111.552 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.87 -19.27 19.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.73 0.3 . . . . 0.95 110.514 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.95 7.8 67.85 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.007 -0.616 . . . . 0.84 113.358 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.428 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 80.3 mt-30 -132.27 111.03 11.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.663 0.268 . . . . 1.26 110.385 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.0 t -72.38 119.09 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.908 -0.404 . . . . 0.69 109.908 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 28.4 p30 -96.72 -175.09 3.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.97 110.423 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.453 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -58.5 -51.79 68.36 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.569 -0.287 . . . . 1.35 111.704 -178.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 5.8 mp0 -57.8 -48.04 80.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 2.6 111.527 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.52 -38.18 77.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.66 111.537 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.58 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 7.4 t80 -74.71 -35.25 62.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.88 110.598 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 138' ' ' TYR . 53.5 t -63.62 -42.49 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.93 0.395 . . . . 0.7 109.999 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.533 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 17.1 mt-30 -67.73 -4.12 11.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.113 -0.494 . . . . 1.5 111.342 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.452 ' HE2' ' CE1' ' B' ' 12' ' ' TYR . 4.1 mmm -111.4 -32.14 6.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.89 111.472 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.89 -50.57 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.923 -0.485 . . . . 1.47 111.01 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -79.73 -30.97 41.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.076 -0.511 . . . . 1.07 111.46 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.673 0.273 . . . . 1.33 110.64 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.434 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 4.2 ttt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 122.474 1.13 . . . . 2.55 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . 0.477 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.81 -55.2 15.08 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.763 -1.562 . . . . 1.88 112.06 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.808 ' SG ' HD21 ' A' ' 32' ' ' LEU . 32.9 m -61.86 -33.04 73.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.528 -0.306 . . . . 0.64 111.348 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.758 HD22 ' HG3' ' A' ' 71' ' ' MET . 2.0 tp -75.79 -41.43 52.93 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.361 -0.381 . . . . 1.25 111.949 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.74 ' SG ' HG21 ' A' ' 91' ' ' VAL . 14.3 p -64.49 -25.5 68.02 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.801 -0.814 . . . . 0.61 108.801 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.77 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.84 -40.41 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 107.221 -1.4 . . . . 0.62 107.221 176.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 3' ' ' CYS . 19.4 t -65.11 -42.28 93.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.262 -0.881 . . . . 0.57 109.28 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.509 ' OG1' ' HG2' ' A' ' 75' ' ' LYS . 4.3 m -66.88 -40.41 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.457 0.646 . . . . 0.63 109.992 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.0 m -63.45 -37.91 89.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.766 -0.827 . . . . 0.83 108.766 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.27 93.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 2.03 109.865 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' OE1' ' B' ' 15' ' ' GLN . 8.0 tttt -63.36 -51.19 66.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.203 -0.666 . . . . 1.32 109.203 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.58 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 56.5 t80 -60.82 -37.22 81.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.21 110.089 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.735 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -80.52 -9.99 59.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.126 -0.488 . . . . 3.1 111.176 179.279 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -94.62 -15.46 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.47 109.757 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.464 ' OE1' ' HE2' ' B' ' 11' ' ' LYS . 0.1 OUTLIER -87.75 -10.19 51.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.795 -0.639 . . . . 1.41 110.041 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -61.27 -33.57 73.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.817 -0.629 . . . . 2.65 111.425 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -109.15 45.66 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.458 0.646 . . . . 4.01 110.533 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -85.06 -58.68 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.144 0.497 . . . . 3.44 109.841 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.389 -0.815 . . . . 4.48 109.622 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.235 0.3 0 N-CA-C 110.756 -0.09 . . . . 1.25 110.756 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.44 -33.82 63.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.726 0.641 . . . . 1.97 111.164 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.607 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.8 mp0 -54.38 -46.56 73.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.127 -0.488 . . . . 1.98 110.168 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.19 -46.83 87.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.719 -0.475 . . . . 1.62 109.719 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -52.95 -45.45 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.162 -0.472 . . . . 1.13 110.201 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -64.69 -29.61 70.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.465 -0.788 . . . . 0.74 111.081 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 48.7 mt-10 -74.98 -50.21 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.39 -0.368 . . . . 1.57 110.287 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CZ ' HG13 ' B' ' 7' ' ' VAL . 65.6 m-85 -60.24 -23.04 63.74 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.375 -0.375 . . . . 1.85 110.878 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 2.0 ttpt -51.84 -39.96 59.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.67 -0.695 . . . . 1.5 109.553 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.96 -34.46 73.44 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.425 -0.807 . . . . 1.64 110.452 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -63.67 -50.05 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.51 110.164 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -27.73 68.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.043 -0.354 . . . . 1.23 110.043 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -80.51 -9.13 59.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.77 110.969 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 15' ' ' ALA . 1.6 pp -105.65 -39.35 6.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.894 -0.41 . . . . 1.43 109.894 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' B' ' 6' ' ' ILE . 15.7 m-85 -68.35 -41.16 81.1 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.939 -0.393 . . . . 0.56 109.939 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.66 140.2 39.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.864 -0.607 . . . . 0.54 110.679 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 26.6 mmtm -138.83 20.58 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 0.73 111.441 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -127.83 -26.11 2.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.835 0.309 . . . . 0.57 111.835 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.21 12.64 56.02 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.885 -0.674 . . . . 0.59 112.675 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.7 -27.22 27.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.455 . . . . 0.58 109.993 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 19.05 48.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.571 -0.823 . . . . 0.74 113.889 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.64 146.32 45.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 117.307 0.554 . . . . 0.47 110.373 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.588 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.2 mp -80.04 134.4 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.41 111.2 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.7 p -124.92 176.15 6.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.483 -0.932 . . . . 0.41 108.483 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -78.39 -37.23 44.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.531 0.681 . . . . 0.6 109.4 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.099 -0.955 . . . . 2.22 112.411 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.2 mt-10 -71.64 -57.3 4.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 121.979 -0.451 . . . . 0.42 111.231 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -60.88 -35.91 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.911 -0.586 . . . . 0.5 110.53 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.65 97.14 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.833 -0.621 . . . . 0.5 111.951 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -34.18 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.781 0.324 . . . . 0.6 110.873 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.47 -38.57 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.763 0.315 . . . . 0.63 110.71 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.519 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -74.57 -11.2 60.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.473 . . . . 1.07 110.553 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 21.7 ttp180 -77.63 -44.8 27.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.126 -0.694 . . . . 1.82 109.126 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -7.72 41.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.642 -0.708 . . . . 0.8 111.641 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.69 -1.65 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.86 109.931 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.51 7.05 62.12 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.616 -0.802 . . . . 0.89 111.159 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.3 mm100 -108.75 141.61 40.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.15 -0.525 . . . . 1.25 110.232 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -132.18 77.61 70.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.67 -0.493 . . . . 1.37 109.67 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 73.3 Cg_endo -80.98 159.55 20.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.402 2.068 . . . . 0.74 112.031 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -100.09 174.72 6.03 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.94 -0.573 . . . . 1.04 109.972 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 48' ' ' LEU . 4.7 mm-40 -51.89 -23.7 5.26 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.675 0.62 . . . . 2.18 112.675 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.37 -41.53 63.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.552 0.691 . . . . 0.63 109.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 43' ' ' PRO . 11.7 mp0 -81.13 -40.17 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.447 -0.797 . . . . 1.57 109.672 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' GLU . 37.3 mt -54.25 -45.49 72.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.777 -0.647 . . . . 0.64 111.899 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.6 -24.89 45.19 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.861 -0.335 . . . . 1.26 110.258 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.4 -43.18 96.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.213 0.53 . . . . 1.38 109.812 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.509 ' SD ' ' HG2' ' B' ' 1' ' ' MET . 21.6 mmt -63.75 -45.0 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.333 -0.848 . . . . 1.38 110.513 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.426 HG23 HG13 ' A' ' 63' ' ' ILE . 15.4 mm -66.12 -37.91 80.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 0.48 110.421 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.63 -31.74 72.65 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.155 -0.475 . . . . 1.4 110.862 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -63.06 -36.2 82.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.076 -0.511 . . . . 2.84 109.669 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.749 HG22 HD23 ' B' ' 4' ' ' LEU . 4.7 t -83.83 -36.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 0.82 110.9 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 2.8 t70 -65.39 129.2 38.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.55 112.107 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.6 -15.91 5.93 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.436 -0.802 . . . . 0.68 110.368 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -83.3 -28.27 29.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.758 -0.377 . . . . 0.74 110.696 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.82 33.06 5.68 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.616 -0.802 . . . . 0.9 112.403 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.428 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -108.42 -26.9 10.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.554 -0.38 . . . . 0.6 111.119 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.405 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.84 39.2 8.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.52 112.472 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.2 m -159.84 135.06 8.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.411 0.285 . . . . 0.57 110.379 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 8.4 mt -72.77 100.96 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.386 -0.598 . . . . 0.46 109.386 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 1.6 p30 -99.52 -174.89 2.84 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.276 -0.42 . . . . 0.52 111.155 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.83 -47.95 30.92 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 112.578 0.585 . . . . 1.15 112.578 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 76.8 Cg_exo -54.42 -43.77 55.7 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.973 1.782 . . . . 0.63 112.162 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -72.89 -26.8 61.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.349 -0.387 . . . . 0.51 110.179 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.08 -43.52 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 1.44 110.488 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.93 -48.95 67.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.695 -0.684 . . . . 0.89 110.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 m -62.24 -44.48 96.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.125 -0.488 . . . . 0.74 110.668 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.799 ' HG3' HD22 ' B' ' 4' ' ' LEU . 19.1 ttp -56.64 -37.1 70.3 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.56 0.695 . . . . 0.71 110.365 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.582 ' HA ' HG11 ' B' ' 7' ' ' VAL . 34.7 ttm -72.45 -41.4 66.16 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.195 -0.911 . . . . 1.69 110.0 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.1 -38.23 90.04 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.286 -0.415 . . . . 0.63 111.4 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 7.6 ttm180 -66.02 -7.96 20.27 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.56 ' CE ' HD12 ' B' ' 4' ' ' LEU . 1.4 tppt? -124.24 -30.2 3.47 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.186 0.439 . . . . 0.86 112.186 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.616 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 8.4 ttm -55.24 -32.84 62.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.143 0.497 . . . . 1.68 110.574 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.616 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 32.8 mtmt -134.49 32.74 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 1.95 110.433 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.6 t70 -68.11 107.77 2.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.01 0.433 . . . . 1.41 110.117 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.7 p -130.33 11.93 5.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.319 0.58 . . . . 1.45 110.598 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -136.09 36.43 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.347 -0.983 . . . . 1.78 108.347 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -36.8 110.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.844 -1.526 . . . . 1.1 114.294 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -84.03 -69.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.089 -1.078 . . . . 1.86 108.089 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -119.84 -5.21 10.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.322 -0.992 . . . . 2.7 108.322 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -50.57 -51.01 52.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.601 -1.181 . . . . 1.27 112.565 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.2 pt -61.3 -33.25 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 1.5 110.71 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -48.36 56.71 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.992 -0.549 . . . . 2.57 109.86 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.57 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -52.0 -51.31 58.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.688 0.617 . . . . 1.47 110.716 178.123 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.55 66.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.739 0.304 . . . . 0.41 111.023 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -81.85 -35.46 29.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.985 0.421 . . . . 0.75 110.039 179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -68.76 -33.55 74.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 2.35 110.261 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.755 HG21 ' SG ' ' B' ' 5' ' ' CYS . 84.7 t -78.83 -35.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.47 110.139 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.444 ' HZ ' HG23 ' B' ' 9' ' ' THR . 4.2 m-30 -79.68 -42.53 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.47 112.085 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.8 97.39 11.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.8 110.368 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -80.52 -26.98 37.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 1.7 112.324 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -80.86 -17.42 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.43 -0.508 . . . . 0.67 111.175 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.96 27.39 70.57 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.954 -0.641 . . . . 0.72 113.573 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.501 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.0 p-10 -92.94 -19.46 21.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.519 0.66 . . . . 0.72 111.975 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.77 4.35 56.93 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.483 -0.865 . . . . 0.58 113.159 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.501 ' HB2' HD21 ' A' ' 97' ' ' ASN . 79.8 m-85 -133.38 108.2 8.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.731 -0.47 . . . . 1.57 109.731 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.36 117.65 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.488 -0.56 . . . . 0.69 109.488 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.2 172.23 6.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 1.14 111.847 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.35 79.2 0.54 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.483 -0.78 . . . . 1.3 109.737 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 175.03 -48.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.284 -0.871 . . . . 0.93 110.956 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.81 -44.9 84.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.503 -0.771 . . . . 0.83 110.186 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.01 -35.2 80.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.428 -0.806 . . . . 0.63 109.005 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.1 mtt85 -57.78 -50.3 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.543 -0.753 . . . . 1.18 110.723 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -63.62 -54.52 34.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.83 110.957 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.1 t -54.65 -47.77 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 111.894 0.331 . . . . 0.53 111.894 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 0.86 111.584 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.2 m -79.45 -31.23 42.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.396 . . . . 0.67 110.846 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -45.19 78.19 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.88 110.446 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.53 -25.65 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.73 -0.668 . . . . 0.93 110.097 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 55.46 2.78 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.844 -0.694 . . . . 0.89 111.7 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.23 159.37 14.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.902 -0.407 . . . . 1.61 109.902 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.47 38.7 0.79 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.28 -0.418 . . . . 1.18 110.247 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 120' ' ' GLU . 1.3 mp -107.14 113.97 27.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.35 -0.387 . . . . 1.27 111.404 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.42 10.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.039 -0.528 . . . . 1.04 110.181 178.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.55 -52.02 50.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.729 0.64 . . . . 1.38 112.729 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -24.5 66.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.446 -0.343 . . . . 2.33 111.525 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.405 ' HB3' ' HG ' ' A' ' 116' ' ' LEU . 24.0 mm-40 -79.78 -34.56 39.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.86 110.33 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.7 -39.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.058 -0.719 . . . . 0.76 109.058 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.51 -40.86 93.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.38 -0.827 . . . . 0.96 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -61.14 -39.37 89.8 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.038 -0.727 . . . . 1.2 109.038 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.645 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.1 ttt -67.99 -39.26 83.3 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.26 -0.882 . . . . 0.76 109.412 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -55.21 -24.4 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.523 -0.762 . . . . 0.92 111.882 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.416 ' HA ' ' CB ' ' A' ' 129' ' ' ASP . 21.8 mtm105 -99.05 7.21 46.15 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.608 0.596 . . . . 0.94 112.608 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.635 ' OE2' ' HG3' ' A' ' 124' ' ' MET . 10.0 pt-20 -70.24 -41.44 73.52 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.461 -0.496 . . . . 2.04 109.95 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.438 ' HA ' ' HG3' ' A' ' 144' ' ' MET . . . -104.08 -7.29 20.36 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.96 110.969 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 4.6 t70 -76.19 100.95 5.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.547 -0.751 . . . . 0.87 110.118 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 mm -99.21 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.555 -0.748 . . . . 1.01 111.154 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -86.27 -28.51 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.449 -0.341 . . . . 1.02 110.345 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.64 48.87 5.38 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.377 -0.689 . . . . 0.94 111.377 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -17.15 7.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.741 0.274 . . . . 0.95 111.741 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.61 3.45 66.57 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.398 -0.906 . . . . 0.84 113.647 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -124.16 115.49 21.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.297 0.549 . . . . 1.26 110.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 141' ' ' PHE . 97.2 t -77.05 97.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.24 -0.652 . . . . 0.69 109.24 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 174.2 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.54 . . . . 0.97 110.377 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -53.86 -51.75 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.33 0.493 . . . . 1.35 112.33 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -65.21 -37.53 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.865 0.321 . . . . 2.6 111.865 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.626 ' O ' ' HB2' ' A' ' 144' ' ' MET . 19.1 mt-10 -63.08 -38.97 93.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.66 111.022 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' B' ' 12' ' ' TYR . 51.8 t80 -80.59 -37.27 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.255 -0.429 . . . . 0.88 111.399 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.2 t -61.22 -49.66 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.99 0.424 . . . . 0.7 110.923 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -78.72 1.11 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.052 -0.522 . . . . 1.5 112.213 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.626 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 2.0 tmm? -109.91 -38.2 5.41 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.494 -0.482 . . . . 0.89 112.103 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.643 ' SD ' HG22 ' B' ' 8' ' ' THR . 41.2 ttp -84.4 -44.9 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.253 -0.579 . . . . 1.47 110.802 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.5 m -71.9 -41.96 67.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.823 0.344 . . . . 1.07 111.427 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 1.33 110.912 -179.115 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.524 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 9.4 ptp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.787 0.327 . . . . 2.55 111.055 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . 0.441 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.01 -72.46 0.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.182 0.515 . . . . 1.88 110.041 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.737 ' SG ' HD21 ' A' ' 32' ' ' LEU . 76.7 m -65.38 -24.53 67.25 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.809 0.814 . . . . 0.64 108.982 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.799 HD22 ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -66.36 -50.31 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.664 -1.153 . . . . 1.25 109.985 178.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.755 ' SG ' HG21 ' A' ' 91' ' ' VAL . 13.7 p -64.8 -24.07 67.44 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.692 -0.231 . . . . 0.61 110.851 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.77 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.19 -41.57 91.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.428 -0.953 . . . . 0.62 108.428 177.109 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 72' ' ' MET . 2.6 t -66.09 -38.06 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.607 -0.516 . . . . 0.57 109.607 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.643 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -69.54 -41.09 76.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.272 -0.422 . . . . 0.63 110.963 179.224 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 96.2 m -62.15 -33.27 74.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.481 -0.933 . . . . 0.83 108.481 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -68.68 -43.6 75.8 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.918 -1.037 . . . . 2.03 109.823 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -62.5 -45.81 91.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.186 -0.672 . . . . 1.32 109.186 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.525 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 90.3 t80 -62.99 -46.5 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.921 -0.581 . . . . 1.21 109.832 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.645 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -71.28 -11.87 61.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.935 -0.575 . . . . 3.1 111.15 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -102.04 -9.06 20.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.935 -0.575 . . . . 1.47 109.855 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 144' ' ' MET . 6.1 tp60 -74.73 -38.45 62.27 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.279 -0.873 . . . . 1.41 109.798 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.84 -37.79 66.61 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.526 0.679 . . . . 2.65 109.727 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.04 87.75 3.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.404 -0.816 . . . . 4.01 109.316 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -158.03 -55.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.926 -0.579 . . . . 3.44 110.753 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.68 -0.691 . . . . 4.48 110.408 179.345 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.318 0 N-CA-C 112.079 0.4 . . . . 1.25 112.079 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.75 -26.53 65.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.814 -0.63 . . . . 1.97 111.557 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 19.2 mp0 -59.19 -47.99 83.29 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.024 -0.732 . . . . 1.98 109.024 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.61 -44.74 95.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.512 -0.767 . . . . 1.62 109.661 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.9 -43.94 36.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.116 -0.493 . . . . 1.13 110.357 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -66.87 -31.77 72.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.74 111.081 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 74.5 mt-10 -72.1 -49.25 37.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 1.57 110.477 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -60.36 -29.34 68.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.461 -0.336 . . . . 1.85 110.529 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttpt -55.79 -40.24 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.237 -0.653 . . . . 1.5 109.237 176.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -69.89 -37.67 76.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.659 . . . . 1.64 109.591 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.707 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -61.83 -51.84 66.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.466 -0.788 . . . . 0.51 109.999 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -32.79 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 1.23 110.098 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 m -71.52 -18.5 62.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.612 -0.722 . . . . 0.77 111.645 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -93.68 -39.03 11.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.21 -0.596 . . . . 1.43 110.486 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.715 ' CE2' HD12 ' B' ' 6' ' ' ILE . 29.4 m-85 -69.06 -40.38 78.56 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.56 110.451 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.27 138.5 34.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.54 110.744 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -141.24 8.53 2.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.168 -0.469 . . . . 0.73 111.188 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -112.95 -17.93 12.35 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.824 0.305 . . . . 0.57 111.824 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 11.67 68.12 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.292 -0.956 . . . . 0.59 112.26 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -27.88 25.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.58 110.196 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.9 5.1 68.63 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.8 -0.714 . . . . 0.74 114.215 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.1 158.61 30.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.231 0.515 . . . . 0.47 110.581 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.564 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.5 mp -90.09 127.56 42.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.119 0.485 . . . . 0.41 111.921 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.3 p -119.45 173.85 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.886 -0.783 . . . . 0.41 108.886 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -80.79 -27.49 36.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.628 0.727 . . . . 0.6 109.872 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -67.44 -38.49 84.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.617 -1.174 . . . . 2.22 112.256 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.9 mt-10 -75.61 -54.48 6.91 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.701 0.63 . . . . 0.42 112.701 -177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.71 HD21 ' SG ' ' B' ' 3' ' ' CYS . 10.1 mp -62.61 -34.72 77.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.5 110.619 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.55 91.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.927 -0.654 . . . . 0.5 112.155 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.3 m -63.23 -37.36 86.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.777 0.322 . . . . 0.6 111.076 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.1 -41.38 67.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.417 0.627 . . . . 0.63 110.324 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.2 ttm -65.35 -11.19 39.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.404 -0.816 . . . . 1.07 111.042 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 8.9 ttp180 -85.57 -40.69 16.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.489 -0.778 . . . . 1.82 109.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -69.12 -11.43 60.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.456 -0.793 . . . . 0.8 111.418 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.57 12.94 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.154 0.502 . . . . 0.86 109.789 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.26 25.09 71.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.782 -0.644 . . . . 0.89 112.053 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 46.2 mt-30 -122.47 137.37 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 1.25 109.976 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.34 81.36 37.95 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.863 -0.792 . . . . 1.37 108.863 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -82.17 138.5 10.1 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.392 2.728 . . . . 0.74 112.007 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 p -75.05 169.55 17.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 1.04 110.258 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -47.68 -49.14 28.56 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.267 0.354 . . . . 2.18 111.891 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.55 94.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 111.828 0.307 . . . . 0.63 111.828 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.24 -39.25 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.377 -0.601 . . . . 1.57 109.377 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 52' ' ' ILE . 72.1 mt -66.78 -25.33 66.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.92 -0.582 . . . . 0.64 110.825 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.47 -37.71 19.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.334 -0.617 . . . . 1.26 109.334 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 23.8 t70 -55.52 -37.96 68.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.267 -0.879 . . . . 1.38 109.197 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.85 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.533 -0.758 . . . . 1.38 109.741 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 48' ' ' LEU . 14.1 mm -64.55 -38.93 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.48 110.069 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.42 -30.02 66.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.791 -0.641 . . . . 1.4 110.62 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.571 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 6.4 mm-40 -63.25 -27.25 69.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 2.84 111.871 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.653 HG13 ' SD ' ' B' ' 1' ' ' MET . 1.8 m -119.84 23.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.962 0.41 . . . . 0.82 110.693 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.54 113.91 19.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.55 110.155 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.39 -6.92 8.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.007 -0.542 . . . . 0.68 110.547 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -81.45 -19.5 42.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.332 -0.618 . . . . 0.74 109.332 178.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 19.44 48.73 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.626 -0.716 . . . . 0.9 114.209 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.481 HD21 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -100.95 -18.63 16.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.301 0.55 . . . . 0.6 110.971 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.06 51.57 10.1 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.737 -0.744 . . . . 0.52 112.354 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' HD21 ' A' ' 60' ' ' ASN . 90.4 m -164.53 135.16 4.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.603 0.361 . . . . 0.57 110.144 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.564 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 13.1 mt -74.0 101.32 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.4 -0.963 . . . . 0.46 108.4 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.71 179.32 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.512 -0.313 . . . . 0.52 111.255 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -69.59 -48.34 24.06 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.244 0.461 . . . . 1.15 112.244 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.26 -51.64 9.15 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.026 1.817 . . . . 0.63 112.066 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.43 -31.21 68.31 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.116 -0.493 . . . . 0.51 111.059 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' MET . 60.9 t80 -62.17 -37.44 85.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.074 -0.512 . . . . 1.44 110.371 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.38 -53.03 55.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.633 -0.712 . . . . 0.89 110.94 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -37.96 75.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.74 111.201 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.788 ' HG2' HD13 ' B' ' 4' ' ' LEU . 7.7 ttp -62.86 -42.29 99.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.71 110.392 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG2' HG21 ' B' ' 7' ' ' VAL . 3.4 tmm? -70.97 -42.96 69.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.992 -0.549 . . . . 1.69 110.726 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.04 69.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.369 0.604 . . . . 0.63 110.576 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 mtm180 -78.87 1.15 24.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.117 -0.947 . . . . 1.45 111.583 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.68 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -128.26 -20.23 3.76 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.859 -0.337 . . . . 0.86 111.619 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.491 ' SD ' ' HG3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -60.97 -47.51 86.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.059 0.457 . . . . 1.68 111.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HG3' ' SD ' ' A' ' 76' ' ' MET . 40.7 mtmt -127.29 30.68 5.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.446 -0.576 . . . . 1.95 109.446 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.665 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 t0 -62.43 126.75 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.799 -0.637 . . . . 1.41 111.692 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 22.87 0.76 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.718 -1.128 . . . . 1.45 108.942 177.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -145.65 34.5 1.04 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.507 -0.769 . . . . 1.78 111.153 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -89.41 172.72 8.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.847 1.055 . . . . 1.1 113.847 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -136.38 -51.43 0.7 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.682 -1.145 . . . . 1.86 109.634 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -91.35 -30.01 16.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.875 -0.602 . . . . 2.7 111.62 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -54.82 -37.68 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 1.27 111.757 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.539 HG21 HG22 ' A' ' 142' ' ' VAL . 12.5 mt -57.37 -45.33 85.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.194 0.521 . . . . 1.5 111.095 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.62 -42.6 91.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.97 -0.559 . . . . 2.57 109.986 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' B' ' 1' ' ' MET . 0.5 OUTLIER -46.25 -64.79 0.67 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.073 0.858 . . . . 1.47 112.002 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -24.52 66.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 111.793 0.294 . . . . 0.41 111.793 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -70.74 -42.83 70.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.53 -0.468 . . . . 0.75 110.166 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -74.53 -18.86 60.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.552 -0.749 . . . . 2.35 111.369 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.813 HG21 ' SG ' ' B' ' 5' ' ' CYS . 72.0 t -77.39 -33.53 19.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.409 -0.589 . . . . 0.47 109.409 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -88.37 -42.75 11.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.47 111.027 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.9 100.58 11.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.953 -0.567 . . . . 0.8 110.185 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -86.82 -29.15 22.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.046 -0.524 . . . . 1.7 112.055 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -75.01 -21.45 59.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.324 -0.55 . . . . 0.67 111.007 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.95 16.17 77.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.981 -0.628 . . . . 0.72 111.923 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -13.9 48.73 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.624 0.25 . . . . 0.72 110.549 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 37.27 18.29 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.661 -0.781 . . . . 0.58 113.352 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -149.96 109.69 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.554 0.342 . . . . 1.57 110.112 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . 0.66 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 46.6 mt -80.19 135.49 25.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.444 0.164 . . . . 0.69 111.161 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 103' ' ' ALA . 75.1 p -144.48 177.73 8.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.04 -0.356 . . . . 1.14 110.04 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.01 3.59 5.21 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.257 1.027 . . . . 1.3 110.341 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.09 -72.09 0.42 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.242 -1.799 . . . . 0.93 108.37 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.1 mt-10 -72.27 -35.51 68.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.043 -0.98 . . . . 0.83 112.161 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.528 HD23 HG13 ' A' ' 121' ' ' VAL . 24.1 tp -61.69 -37.35 83.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.897 0.379 . . . . 0.63 111.665 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 106' ' ' ARG . 28.5 ttm180 -63.63 -36.77 84.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.445 . . . . 1.18 110.183 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -69.06 -42.62 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.83 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 104' ' ' GLU . 19.7 t -71.21 -44.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.427 0.528 . . . . 0.53 112.427 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.12 86.67 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.901 0.382 . . . . 0.86 111.217 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 m -72.19 -23.55 61.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 0.67 110.237 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -78.07 -44.69 25.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.88 110.435 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . 0.431 ' O ' HD22 ' A' ' 18' ' ' LEU . 59.7 mt -63.72 -33.46 75.7 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.989 -0.551 . . . . 0.93 110.431 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.33 35.06 7.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.604 -0.808 . . . . 0.89 111.554 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 166.36 14.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 1.61 110.656 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 78.33 6.9 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.354 -0.61 . . . . 1.18 109.354 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.412 ' HG ' ' CB ' ' A' ' 120' ' ' GLU . 4.2 tp -150.63 117.33 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 1.27 109.968 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.91 -175.88 4.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.228 -0.286 . . . . 1.04 110.228 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.69 -44.06 97.0 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.727 0.299 . . . . 1.38 111.596 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -32.01 73.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 2.33 110.497 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.412 ' CB ' ' HG ' ' A' ' 116' ' ' LEU . 30.9 mm-40 -72.43 -41.34 66.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.362 -0.835 . . . . 1.86 109.647 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 HD23 ' A' ' 105' ' ' LEU . 24.5 t -58.94 -41.9 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.39 -0.823 . . . . 0.76 110.439 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.97 -42.16 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.359 . . . . 0.96 110.198 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.52 -46.34 86.97 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.198 0.523 . . . . 1.2 110.15 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.754 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 19.6 ttt -70.8 -34.88 72.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.267 -0.879 . . . . 0.76 110.417 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 -31.54 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.92 111.161 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.1 mtm105 -86.77 16.03 5.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.075 0.398 . . . . 0.94 112.075 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.596 ' OE1' ' HG3' ' A' ' 124' ' ' MET . 11.1 pt-20 -76.58 -48.05 20.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.367 -0.533 . . . . 2.04 110.388 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 127' ' ' GLU . . . -101.89 0.01 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.181 0.515 . . . . 0.96 110.5 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.2 91.87 2.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.87 109.929 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.5 mm -78.47 -34.88 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.545 -0.752 . . . . 1.01 111.745 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -81.37 -36.31 29.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.146 -0.479 . . . . 1.02 111.127 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.1 6.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.96 -0.638 . . . . 0.94 111.806 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -95.96 -14.09 23.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.95 110.61 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.77 12.02 61.18 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.846 -0.616 . . . . 0.84 112.339 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.66 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 65.8 mt-30 -134.65 116.66 15.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.81 -0.195 . . . . 1.26 110.933 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.29 112.52 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.003 -0.739 . . . . 0.69 109.003 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -90.25 -179.17 5.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.97 110.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.401 ' O ' HG23 ' A' ' 142' ' ' VAL . 4.1 t80 -59.89 -51.92 67.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.568 0.581 . . . . 1.35 112.568 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.69 -38.66 78.74 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.954 0.407 . . . . 2.6 110.817 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 144' ' ' MET . 49.8 mt-10 -64.43 -41.87 96.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.974 -0.557 . . . . 0.66 110.593 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.504 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 25.7 t80 -73.26 -38.71 65.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.441 . . . . 0.88 111.514 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 85' ' ' ILE . 71.7 t -64.81 -48.42 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.095 0.474 . . . . 0.7 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -73.19 -6.02 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.5 111.899 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.599 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 3.1 tmm? -107.18 -36.66 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.5 0.556 . . . . 0.89 112.5 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 ttp -104.47 -29.34 10.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.793 -0.567 . . . . 1.47 111.972 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -97.46 -1.21 44.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.582 0.706 . . . . 1.07 110.744 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 1.33 110.608 -179.8 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.653 ' SD ' HG13 ' A' ' 55' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.428 0.632 . . . . 2.55 109.924 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -63.19 1.19 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.605 -1.179 . . . . 1.88 112.11 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.71 ' SG ' HD21 ' A' ' 32' ' ' LEU . 83.3 m -55.86 -29.09 59.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.737 -0.665 . . . . 0.64 112.691 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.788 HD13 ' HG2' ' A' ' 71' ' ' MET . 6.8 tp -82.15 -38.33 24.86 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.861 -0.524 . . . . 1.25 109.74 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.813 ' SG ' HG21 ' A' ' 91' ' ' VAL . 2.4 p -65.2 -27.99 69.07 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.067 -1.086 . . . . 0.61 108.067 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.715 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -64.17 -43.73 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 107.339 -1.356 . . . . 0.62 107.339 176.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 3' ' ' CYS . 20.3 t -64.17 -40.36 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.66 -0.7 . . . . 0.57 109.419 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -64.61 -42.16 95.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.013 0.435 . . . . 0.63 110.04 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 57.8 m -62.19 -36.24 81.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.83 110.032 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' B' ' 14' ' ' TYR . 0.1 OUTLIER -76.95 -30.34 55.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 2.03 110.427 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -74.05 -40.22 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.915 -0.772 . . . . 1.32 108.915 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 93.1 t80 -66.9 -45.54 77.66 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.732 -0.84 . . . . 1.21 108.732 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.754 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 2.3 ttp85 -65.56 -23.3 66.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.089 -0.505 . . . . 3.1 110.552 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 11.7 t80 -81.88 -22.22 37.0 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.568 -0.531 . . . . 1.47 109.568 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.71 -36.83 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.545 -0.909 . . . . 1.41 108.545 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.28 -42.38 73.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.66 -0.7 . . . . 2.65 109.917 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -88.52 80.18 7.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.339 -0.846 . . . . 4.01 108.866 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -152.69 -28.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.828 -1.078 . . . . 3.44 110.027 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.141 -0.936 . . . . 4.48 110.097 179.473 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.756 ' HB ' ' OE1' ' A' ' 7' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.445 -0.695 0 CA-C-O 120.938 0.399 . . . . 1.25 111.915 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.99 -43.94 90.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.417 0.895 . . . . 1.97 113.417 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.756 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.92 -36.93 82.83 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.18 -0.608 . . . . 1.98 109.63 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . 0.412 ' HG3' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -63.47 -48.38 77.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.471 -0.566 . . . . 1.62 109.471 177.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mm -51.38 -43.5 30.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.291 0.567 . . . . 1.13 109.588 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.49 90.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.169 -0.923 . . . . 0.74 110.478 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -66.22 -53.38 37.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.223 -0.444 . . . . 1.57 110.51 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -59.94 -28.85 67.98 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.315 -0.402 . . . . 1.85 111.214 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -58.27 -38.13 76.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.268 -0.641 . . . . 1.5 109.268 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.21 -34.13 72.54 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.64 110.198 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' B' ' 6' ' ' ILE . . . -62.94 -44.69 95.38 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.818 -0.808 . . . . 0.51 108.818 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -59.46 -38.03 79.72 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.231 -0.655 . . . . 1.23 109.231 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.2 m -67.89 -22.07 65.11 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.481 -0.782 . . . . 0.77 111.78 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -96.64 -36.23 10.78 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.606 -0.837 . . . . 1.43 110.737 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.738 ' CZ ' ' HA ' ' B' ' 3' ' ' CYS . 11.4 m-85 -68.68 -45.83 70.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.067 0.46 . . . . 0.56 110.326 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.98 133.6 36.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.591 . . . . 0.54 110.44 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -129.21 -5.79 4.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.036 -0.529 . . . . 0.73 111.525 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -100.06 -18.63 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.57 111.599 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.63 67.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.82 -0.705 . . . . 0.59 112.59 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.85 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.951 -0.389 . . . . 0.58 109.951 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.73 -3.5 78.16 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.022 -0.609 . . . . 0.74 113.932 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.4 152.16 30.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.888 0.344 . . . . 0.47 110.388 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.734 HG21 HG13 ' A' ' 63' ' ' ILE . 1.3 mp -83.59 121.27 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.41 111.527 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -103.42 173.72 6.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.392 -0.595 . . . . 0.41 109.392 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.86 -31.55 56.9 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.429 0.633 . . . . 0.6 109.472 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -29.78 56.31 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.371 -0.831 . . . . 2.22 111.947 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 23.6 mt-10 -71.72 -57.69 4.14 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 121.555 -0.716 . . . . 0.42 110.329 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.814 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.4 mp -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.5 110.566 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.72 -36.04 77.12 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.168 -0.539 . . . . 0.5 112.522 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.6 111.155 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 t -66.95 -44.09 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.352 . . . . 0.63 110.065 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mtm -63.69 -18.83 64.4 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.491 0.662 . . . . 1.07 110.743 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.53 -42.17 14.65 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.576 -0.738 . . . . 1.82 110.127 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -72.46 -8.61 55.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.8 111.393 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -87.34 -3.55 59.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.86 109.984 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.78 31.55 9.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.929 -0.653 . . . . 0.89 112.852 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -133.33 153.91 51.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.767 0.317 . . . . 1.25 110.195 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -124.95 92.19 48.06 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.289 -0.414 . . . . 1.37 110.469 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -91.36 132.04 1.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.297 2.665 . . . . 0.74 111.193 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 p -89.7 -176.2 4.9 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.96 -0.296 . . . . 1.04 110.695 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.27 -44.94 16.93 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.684 0.794 . . . . 2.18 113.135 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -38.23 79.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.952 0.353 . . . . 0.63 111.952 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -71.29 -41.34 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.912 -0.403 . . . . 1.57 109.912 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.44 ' O ' HG12 ' A' ' 52' ' ' ILE . 31.8 mt -63.06 -25.47 68.39 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.64 111.912 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -89.68 -38.92 13.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.723 -0.473 . . . . 1.26 109.723 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -42.47 79.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.125 -0.943 . . . . 1.38 109.451 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt -58.09 -47.25 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.376 -0.829 . . . . 1.38 110.933 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 48' ' ' LEU . 30.3 mm -69.7 -40.26 79.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.458 -0.792 . . . . 0.48 110.866 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -57.52 -32.13 66.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.559 -0.291 . . . . 1.4 111.437 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.37 -18.58 64.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.598 -0.274 . . . . 2.84 111.538 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.3 -34.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.271 0.557 . . . . 0.82 110.305 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 3.0 t70 -67.13 126.09 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.308 -0.86 . . . . 0.55 111.108 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.34 -20.49 5.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.696 -0.684 . . . . 0.68 110.4 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -16.4 55.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.812 -0.631 . . . . 0.74 111.284 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.36 53.67 4.04 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.751 -0.738 . . . . 0.9 112.285 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -27.7 2.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.748 0.309 . . . . 0.6 110.323 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.437 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 82.23 52.25 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.52 112.734 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 27' ' ' ILE . 41.5 m -163.84 134.34 4.36 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 122.312 0.245 . . . . 0.57 110.696 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.734 HG13 HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.43 84.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 108.841 -0.8 . . . . 0.46 108.841 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.3 p30 -83.55 176.08 9.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52 110.134 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.49 -51.19 53.1 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.592 0.59 . . . . 1.15 112.592 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -50.03 -47.48 23.52 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.916 1.744 . . . . 0.63 112.225 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -72.74 -30.94 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.561 -0.29 . . . . 0.51 110.65 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 72' ' ' MET . 33.9 t80 -61.16 -38.55 86.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.406 -0.59 . . . . 1.44 109.406 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.33 -54.89 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.89 110.263 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -56.77 -51.33 69.32 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.015 -0.539 . . . . 0.74 111.047 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.761 ' CG ' HD22 ' B' ' 4' ' ' LEU . 1.6 ttp -60.27 -39.88 88.41 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.387 1.054 . . . . 0.71 110.41 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 10.4 ttm -64.03 -46.04 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 1.69 110.678 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.16 -29.72 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.12 0.486 . . . . 0.63 110.801 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.59 -19.64 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.802 -0.636 . . . . 1.45 110.936 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' B' ' 4' ' ' LEU . 0.1 OUTLIER -114.91 -14.49 11.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.655 0.264 . . . . 0.86 111.276 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.5 ttm -55.13 -47.67 74.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.34 -0.615 . . . . 1.68 109.34 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -123.44 56.73 1.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.337 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.61 105.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.618 . . . . 1.41 110.825 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.7 p -131.5 5.54 4.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.097 -0.956 . . . . 1.45 109.039 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.0 43.06 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.161 -1.381 . . . . 1.78 108.114 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB3' ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -62.15 80.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.212 -1.358 . . . . 1.1 114.354 -178.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -96.7 -73.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 1.86 108.921 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.71 -22.01 18.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.544 -0.91 . . . . 2.7 108.544 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -57.84 -51.15 70.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.642 -1.163 . . . . 1.27 111.309 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 1.3 tp -64.14 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 1.5 110.658 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -70.77 -43.95 67.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.007 -0.542 . . . . 2.57 109.791 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -54.04 -55.52 26.6 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.47 111.981 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.3 -24.52 65.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.542 0.21 . . . . 0.41 111.392 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.6 t80 -72.51 -32.89 66.52 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.208 -0.664 . . . . 0.75 109.208 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -83.1 -29.21 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 2.35 111.966 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.6 HG21 ' SG ' ' B' ' 5' ' ' CYS . 78.1 t -72.81 -30.67 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.47 110.146 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.43 ' HZ ' HG23 ' B' ' 9' ' ' THR . 13.1 m-85 -88.6 -40.09 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.47 110.682 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.43 94.32 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.43 -0.581 . . . . 0.8 109.43 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -87.4 -20.07 27.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 1.7 111.671 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -80.36 -18.84 47.9 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.198 -0.601 . . . . 0.67 110.763 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.22 61.82 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.983 -0.627 . . . . 0.72 112.374 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -97.78 -20.34 17.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.43 0.157 . . . . 0.72 111.321 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.28 60.72 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.623 -0.798 . . . . 0.58 113.592 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.508 ' HB2' HD21 ' A' ' 97' ' ' ASN . 39.3 m-85 -126.81 111.19 13.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 122.348 -0.501 . . . . 1.57 111.182 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.92 146.29 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.629 -0.714 . . . . 0.69 110.499 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 103' ' ' ALA . 97.5 p -159.01 -174.03 4.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.809 -0.178 . . . . 1.14 110.538 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.77 4.36 1.15 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.942 0.877 . . . . 1.3 110.916 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -79.55 -74.28 0.3 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.053 -1.431 . . . . 0.93 109.917 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -30.55 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 0.83 112.413 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . 0.41 HD23 HG12 ' A' ' 125' ' ' ILE . 46.1 tp -61.05 -34.4 74.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.63 110.619 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -65.63 -38.83 90.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 1.18 109.854 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.47 -54.89 21.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.967 -0.56 . . . . 0.83 111.449 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.95 -40.9 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.872 0.323 . . . . 0.53 111.872 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.29 88.9 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.038 0.446 . . . . 0.86 110.783 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.6 m -77.65 -32.21 53.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.523 -0.762 . . . . 0.67 110.551 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -70.14 -39.87 75.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.577 -0.738 . . . . 0.88 110.485 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.08 -33.16 75.13 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.364 0.602 . . . . 0.93 109.693 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.97 38.06 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.247 -0.888 . . . . 0.89 112.993 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.6 170.85 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.174 0.487 . . . . 1.61 110.184 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -87.75 12.68 12.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 1.18 111.121 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.28 111.89 19.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.24 0.543 . . . . 1.27 110.907 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -176.51 5.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.688 -0.687 . . . . 1.04 110.134 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -54.85 -52.33 63.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.601 0.593 . . . . 1.38 112.601 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.15 -29.77 69.57 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.143 -0.223 . . . . 2.33 110.717 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.8 -32.95 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.86 109.848 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -68.45 -40.96 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.603 -0.726 . . . . 0.76 109.566 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.88 -38.2 73.05 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.96 110.051 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 4.1 tp10 -63.17 -50.92 68.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.143 -0.48 . . . . 1.2 110.959 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.689 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.2 ttt -65.84 -36.61 83.94 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.501 -0.318 . . . . 0.76 110.723 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.41 HG12 HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.72 -27.13 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.815 0.672 . . . . 0.92 112.815 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.446 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 14.3 mtm105 -88.2 18.29 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.385 0.883 . . . . 0.94 113.385 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -40.5 17.82 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.489 -0.56 . . . . 2.04 109.489 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.98 -12.8 22.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.49 -0.777 . . . . 0.96 111.181 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.6 105.01 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 0.87 110.574 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.3 mm -109.28 -1.82 9.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 1.01 110.481 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -103.78 -28.36 11.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.402 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.87 48.42 3.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.622 -0.799 . . . . 0.94 112.645 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -126.8 -12.56 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.653 0.263 . . . . 0.95 111.384 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.03 13.76 82.67 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.997 -0.621 . . . . 0.84 113.036 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 52.4 mt-30 -129.34 113.52 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.712 -0.477 . . . . 1.26 109.712 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 83.3 t -81.39 106.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.175 -0.466 . . . . 0.69 110.433 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -85.1 179.73 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.97 -0.292 . . . . 0.97 110.873 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -53.14 -55.41 24.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.838 -0.619 . . . . 1.35 111.482 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -52.99 -47.54 68.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 2.6 111.754 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 144' ' ' MET . 48.0 mt-10 -64.39 -38.3 90.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.955 -0.566 . . . . 0.66 111.306 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 5.2 t80 -71.72 -42.27 67.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 0.88 110.528 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 138' ' ' TYR . 99.5 t -66.88 -48.83 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.381 -0.372 . . . . 0.7 111.563 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.99 -4.8 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.885 0.374 . . . . 1.5 111.456 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -110.92 -38.4 5.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.89 111.529 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.658 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -80.54 -48.23 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.621 -0.263 . . . . 1.47 111.208 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -74.13 -32.24 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.07 111.149 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 1.33 110.756 179.709 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.402 0.62 . . . . 2.55 109.491 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -57.1 8.11 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.686 -1.143 . . . . 1.88 111.777 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.814 ' SG ' HD21 ' A' ' 32' ' ' LEU . 65.5 m -60.31 -33.04 71.82 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.569 . . . . 0.64 111.43 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.761 HD22 ' CG ' ' A' ' 71' ' ' MET . 2.1 tp -77.02 -39.34 50.55 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.797 -0.183 . . . . 1.25 110.722 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.6 ' SG ' HG21 ' A' ' 91' ' ' VAL . 16.0 p -66.13 -23.66 66.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.734 -0.839 . . . . 0.61 108.734 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.722 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -69.01 -42.62 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.185 -1.413 . . . . 0.62 107.185 176.097 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 3' ' ' CYS . 14.5 t -61.71 -40.36 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.791 -0.64 . . . . 0.57 109.645 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.658 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.9 OUTLIER -67.57 -45.77 74.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.63 110.003 178.273 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.43 HG23 ' HZ ' ' A' ' 92' ' ' PHE . 90.8 m -60.63 -37.03 80.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.322 -0.622 . . . . 0.83 109.322 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -67.4 -39.18 85.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.696 -0.684 . . . . 2.03 110.464 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -69.71 -43.3 72.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 1.32 109.847 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.0 t80 -64.66 -41.11 96.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.787 -0.642 . . . . 1.21 109.596 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.689 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -70.79 -25.22 62.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.864 . . . . 3.1 110.793 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -80.87 -25.19 37.83 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.278 -0.638 . . . . 1.47 109.278 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -18.11 62.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.54 -0.755 . . . . 1.41 109.704 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -26.96 68.41 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.73 -0.841 . . . . 2.65 108.73 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.5 76.44 5.0 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.713 -1.13 . . . . 4.01 109.492 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -144.55 -67.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.351 0.5 . . . . 3.44 112.351 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.867 0 CA-C-O 119.033 -0.508 . . . . 4.48 112.175 -177.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.451 -0.406 0 N-CA-C 110.178 -0.304 . . . . 1.25 110.178 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.83 -37.64 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 1.97 111.321 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 2.2 mp0 -57.06 -50.77 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 1.98 110.176 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.78 -48.04 80.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.549 -0.75 . . . . 1.62 110.304 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 mm -50.19 -44.74 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 120.938 0.399 . . . . 1.13 110.308 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.692 -0.685 . . . . 0.74 110.835 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 50.2 mt-10 -66.26 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.517 -0.31 . . . . 1.57 110.628 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.19 -30.55 69.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.799 0.333 . . . . 1.85 110.58 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 20.0 ttpt -57.75 -38.67 75.78 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.245 -0.65 . . . . 1.5 109.245 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.438 ' OE2' ' HA ' ' A' ' 11' ' ' GLU . 30.1 mt-10 -69.17 -38.8 78.89 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.443 -0.799 . . . . 1.64 109.202 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.29 86.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.623 -0.717 . . . . 0.51 109.611 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -57.51 -42.9 83.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.206 -0.452 . . . . 1.23 110.274 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 m -65.99 -14.31 61.4 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.326 0.584 . . . . 0.77 110.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -94.03 -53.8 3.84 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.548 -0.751 . . . . 1.43 110.803 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.757 ' CE2' HD12 ' B' ' 6' ' ' ILE . 33.1 m-85 -64.01 -41.58 97.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.906 0.384 . . . . 0.56 111.181 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.92 133.38 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.94 -0.573 . . . . 0.54 110.783 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -129.91 19.1 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.73 111.154 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -126.6 -23.99 3.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.865 -0.334 . . . . 0.57 111.786 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.05 3.95 57.79 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.984 -0.627 . . . . 0.59 113.174 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -80.49 -38.55 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.769 -0.254 . . . . 0.58 110.873 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.71 -23.76 23.35 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.674 -0.774 . . . . 0.74 113.551 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.405 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 2.0 m -89.55 138.54 31.37 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.038 0.447 . . . . 0.47 110.708 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.509 HG21 HD12 ' A' ' 63' ' ' ILE . 1.1 mp -76.82 124.77 35.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.41 110.924 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -112.56 -178.91 3.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.895 -0.78 . . . . 0.41 108.895 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 -31.73 21.56 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.018 0.437 . . . . 0.6 111.179 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -75.19 -19.22 59.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 2.22 111.095 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -82.83 -53.89 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.457 0.473 . . . . 0.42 110.329 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.732 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -63.73 -31.92 73.25 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.433 0.458 . . . . 0.5 111.044 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.77 -31.23 71.04 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 121.0 -0.619 . . . . 0.5 112.618 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -61.67 -42.54 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.63 0.252 . . . . 0.6 110.939 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 39.6 t -61.49 -46.58 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 O-C-N 122.262 -0.273 . . . . 0.63 111.251 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.579 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 32.0 ttm -65.06 -15.34 62.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.147 0.499 . . . . 1.07 110.702 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 34' ' ' THR . 13.1 ttp180 -77.2 -44.08 31.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.58 -0.737 . . . . 1.82 109.221 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.06 -13.87 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.64 -0.709 . . . . 0.8 111.242 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -85.14 4.36 34.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 0.86 110.444 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.49 24.42 67.97 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.89 112.319 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -124.88 168.0 13.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.154 -0.684 . . . . 1.25 109.154 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -158.34 94.09 1.97 Allowed Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.65 -0.42 . . . . 1.37 112.068 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 60.0 Cg_endo -84.5 149.8 11.57 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.562 2.175 . . . . 0.74 112.361 177.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.2 p -90.34 179.06 5.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.885 -0.598 . . . . 1.04 109.65 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -45.88 -59.26 2.92 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.044 0.387 . . . . 2.18 112.044 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.87 57.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.543 0.572 . . . . 0.63 112.543 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.34 -41.62 39.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.256 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.21 -34.68 75.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.64 111.134 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -33.7 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.36 -0.608 . . . . 1.26 109.36 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -55.67 -42.58 75.29 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.082 -0.963 . . . . 1.38 109.782 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.5 -39.83 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.101 -0.954 . . . . 1.38 110.078 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.18 -40.77 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.48 111.105 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -26.94 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.523 0.515 . . . . 1.4 111.639 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.99 -21.11 64.17 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.898 0.38 . . . . 2.84 110.704 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.38 -43.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.104 0.478 . . . . 0.82 110.551 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 7.3 t70 -67.34 122.16 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.55 111.603 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.87 -11.13 8.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.845 0.355 . . . . 0.68 110.609 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.578 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.07 -27.0 35.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.665 -0.414 . . . . 0.74 110.161 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 21.89 17.86 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.829 -0.7 . . . . 0.9 112.719 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.585 HD21 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -98.37 -28.95 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.001 0.429 . . . . 0.6 110.818 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 83.66 45.19 6.52 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.653 -0.784 . . . . 0.52 112.534 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.585 ' HB ' HD21 ' A' ' 60' ' ' ASN . 99.4 m -158.31 128.3 5.98 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.851 -0.205 . . . . 0.57 110.601 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 27' ' ' ILE . 10.9 mt -67.52 96.52 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.602 -0.888 . . . . 0.46 108.602 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.8 p30 -100.78 -178.61 3.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.52 112.018 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.38 -50.15 29.09 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.174 -0.466 . . . . 1.15 111.773 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.72 -49.32 17.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.608 1.538 . . . . 0.63 111.837 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.93 -31.54 72.2 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.261 -0.427 . . . . 0.51 110.867 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.9 t80 -65.38 -37.04 85.81 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.541 0.526 . . . . 1.44 110.231 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.22 -56.88 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.542 . . . . 0.89 110.382 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -64.93 -37.09 86.48 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.841 -0.618 . . . . 0.74 111.172 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.728 ' HG2' HD13 ' B' ' 4' ' ' LEU . 7.4 ttp -64.54 -45.37 87.44 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.71 110.707 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 25.7 ttm -65.33 -39.51 92.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.422 -0.354 . . . . 1.69 110.89 -179.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.71 85.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.655 -0.248 . . . . 0.63 111.018 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . 0.497 ' HD3' ' OE2' ' A' ' 84' ' ' GLU . 3.3 ttm180 -62.17 -37.09 83.91 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.282 -0.417 . . . . 1.45 110.464 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.539 ' CE ' ' HG ' ' B' ' 4' ' ' LEU . 2.8 tppt? -90.16 -10.09 45.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.414 -0.514 . . . . 0.86 111.018 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . 0.559 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 25.0 ttm -66.76 -48.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.971 0.415 . . . . 1.68 110.208 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 43.8 mtmt -136.32 57.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 1.95 111.492 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.59 136.62 45.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.243 -0.28 . . . . 1.41 110.243 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 p -137.17 20.13 2.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.643 0.735 . . . . 1.45 110.356 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.55 -46.76 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.97 -1.014 . . . . 1.78 108.695 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m 55.33 53.01 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.733 1.382 . . . . 1.1 114.733 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . 4.9 tp10 -83.83 -76.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.035 -0.728 . . . . 1.86 109.035 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 82' ' ' GLU . 3.1 pm0 -90.79 -15.35 30.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.7 110.621 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' OE2' ' HD3' ' A' ' 74' ' ' ARG . 15.2 mm-40 -57.46 -60.47 3.6 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.809 -0.632 . . . . 1.27 111.958 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 24.6 mt -64.52 -31.27 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.381 -0.827 . . . . 1.5 110.974 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -65.33 -51.46 60.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 2.57 110.776 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -50.34 70.99 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.975 -0.557 . . . . 1.47 112.456 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.05 64.57 Favored 'General case' 0 N--CA 1.457 -0.099 0 O-C-N 121.871 -0.518 . . . . 0.41 111.36 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.059 -0.719 . . . . 0.75 109.059 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.22 -23.51 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 2.35 111.671 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.689 HG11 ' SG ' ' B' ' 5' ' ' CYS . 63.0 t -80.48 -40.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 0.47 110.228 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -79.72 -42.47 24.57 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.54 -0.3 . . . . 0.47 110.791 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.63 85.61 6.0 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.8 110.999 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -64.69 -26.62 68.46 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.183 -0.917 . . . . 1.7 111.714 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -85.54 -24.73 27.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.33 -0.548 . . . . 0.67 110.973 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.16 25.54 66.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.879 -0.677 . . . . 0.72 112.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.59 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -86.92 -23.62 25.1 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.591 -0.359 . . . . 0.72 111.317 -179.726 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.74 8.46 37.12 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.732 -0.747 . . . . 0.58 113.099 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HB2' HD21 ' A' ' 97' ' ' ASN . 20.4 m-85 -131.16 106.88 8.63 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 122.754 -0.263 . . . . 1.57 110.618 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.1 mt -86.1 139.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.69 110.411 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 103' ' ' ALA . 25.8 p -150.33 -175.84 5.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.15 -0.315 . . . . 1.14 110.15 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.04 -0.85 3.49 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.177 0.989 . . . . 1.3 110.075 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.25 -76.02 0.11 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.534 -1.666 . . . . 0.93 109.005 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.05 -31.71 50.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.6 0.963 . . . . 0.83 113.6 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.31 -37.69 81.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.026 0.441 . . . . 0.63 111.248 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 106' ' ' ARG . 27.7 ttm180 -59.54 -36.49 76.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.699 -0.682 . . . . 1.18 110.697 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -68.48 -47.59 66.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.83 110.945 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.79 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.23 0.331 . . . . 0.53 110.589 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -38.26 71.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.094 0.473 . . . . 0.86 111.026 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -80.43 -28.82 37.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.696 0.76 . . . . 0.67 110.785 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -43.54 68.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.238 -0.892 . . . . 0.88 111.048 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -69.99 -33.33 71.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.93 110.147 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.11 46.05 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.815 -0.707 . . . . 0.89 112.605 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.15 -178.98 7.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.164 0.507 . . . . 1.61 110.324 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -96.44 34.9 1.55 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.366 -0.833 . . . . 1.18 110.838 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.38 120.58 37.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.996 0.427 . . . . 1.27 111.615 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 p -89.18 -170.54 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.749 -0.659 . . . . 1.04 110.168 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -56.95 13.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.31 0.485 . . . . 1.38 112.31 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.49 -26.37 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 2.33 111.274 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -75.7 -47.33 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.216 -0.447 . . . . 1.86 110.496 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.42 -43.94 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.454 0.645 . . . . 0.76 109.317 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -63.08 -45.4 92.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.931 -1.031 . . . . 0.96 110.544 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.555 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.8 tp10 -63.53 -44.56 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 1.2 111.053 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.786 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -62.9 -45.7 91.26 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.996 -0.547 . . . . 0.76 111.527 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -48.87 -25.99 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.596 0.962 . . . . 0.92 113.596 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 30.7 mtm105 -89.91 24.05 2.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.079 0.399 . . . . 0.94 112.079 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -92.19 -43.35 9.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.151 0.5 . . . . 2.04 109.88 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.645 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -103.4 -12.66 17.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.96 110.693 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -78.11 89.04 4.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.632 . . . . 0.87 110.699 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.8 mm -80.54 -27.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.794 -0.639 . . . . 1.01 112.419 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -84.26 -12.34 54.88 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.242 -0.286 . . . . 1.02 111.482 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.2 42.44 94.28 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.818 -0.706 . . . . 0.94 112.396 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.49 -15.1 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.516 -0.402 . . . . 0.95 111.203 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.83 -4.93 63.66 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.347 -0.93 . . . . 0.84 113.182 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -121.14 119.76 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.201 0.5 . . . . 1.26 111.296 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.2 t -86.53 107.41 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.126 -0.694 . . . . 0.69 109.126 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -87.18 178.88 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.434 -0.348 . . . . 0.97 110.654 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 142' ' ' VAL . 2.4 t80 -52.39 -47.29 66.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.35 112.328 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.11 -44.61 96.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 2.6 110.939 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.16 -32.22 73.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.837 -0.62 . . . . 0.66 111.592 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 30.0 t80 -77.96 -39.23 43.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.537 -0.301 . . . . 0.88 111.167 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 138' ' ' TYR . 90.6 t -60.76 -47.77 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.309 0.576 . . . . 0.7 110.968 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 75.5 mt-30 -67.13 -16.66 64.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.623 -0.717 . . . . 1.5 111.911 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.645 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -97.89 -39.56 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.428 0.529 . . . . 0.89 112.428 -178.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.586 ' SD ' HG23 ' B' ' 8' ' ' THR . 17.6 ttp -87.09 -48.81 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.085 -0.646 . . . . 1.47 112.043 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.827 0.346 . . . . 1.07 111.059 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.049 -0.523 . . . . 1.33 110.45 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.421 ' CE ' HD23 ' B' ' 4' ' ' LEU . 2.9 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 121.715 0.769 . . . . 2.55 109.663 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . 0.431 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.08 -48.26 73.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.634 -1.166 . . . . 1.88 111.424 -179.564 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.732 ' SG ' HD21 ' A' ' 32' ' ' LEU . 59.6 m -63.5 -31.68 72.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.64 110.958 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.728 HD13 ' HG2' ' A' ' 71' ' ' MET . 4.7 tp -78.17 -33.23 50.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 1.25 109.967 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.689 ' SG ' HG11 ' A' ' 91' ' ' VAL . 1.6 p -67.13 -27.55 67.41 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.133 -1.062 . . . . 0.61 108.133 178.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.757 HD12 ' CE2' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -68.15 -39.89 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.65 -1.241 . . . . 0.62 107.65 176.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 3' ' ' CYS . 10.9 t -63.62 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 N-CA-C 108.562 -0.903 . . . . 0.57 108.562 177.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.586 HG23 ' SD ' ' A' ' 145' ' ' MET . 4.3 m -69.4 -41.43 76.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.834 -0.621 . . . . 0.63 110.07 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -62.02 -35.91 79.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.875 -0.602 . . . . 0.83 109.828 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 0.3 OUTLIER -72.01 -43.82 64.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.873 -0.603 . . . . 2.03 110.205 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 10.0 tmtt? -60.5 -40.82 92.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.451 0.643 . . . . 1.32 109.488 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.41 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 70.1 t80 -72.71 -31.6 65.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.229 -0.896 . . . . 1.21 110.07 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.786 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 16.5 ttp85 -87.07 -2.87 58.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.265 0.555 . . . . 3.1 110.705 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -102.78 -23.11 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.261 -0.882 . . . . 1.47 110.376 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' B' ' 18' ' ' ASP . 2.2 tp60 -79.19 -21.17 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.64 -1.164 . . . . 1.41 111.455 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -64.07 -24.72 67.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.051 0.453 . . . . 2.65 109.873 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -86.75 31.61 0.68 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.8 -0.636 . . . . 4.01 110.398 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' B' ' 15' ' ' GLN . 7.2 t70 -82.01 -53.83 5.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.83 0.678 . . . . 3.44 112.83 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.252 1.188 0 CA-C-O 119.131 -0.461 . . . . 4.48 111.26 -178.331 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.442 -0.832 0 CA-C-O 120.645 0.259 . . . . 1.25 111.1 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -56.4 -39.79 73.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 1.97 110.7 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 4.7 mp0 -57.53 -43.67 84.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.813 -0.63 . . . . 1.98 111.426 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.08 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.616 -0.513 . . . . 1.62 109.616 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.9 mm -54.56 -42.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.277 -0.42 . . . . 1.13 110.643 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -63.78 -38.36 90.82 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.241 -0.436 . . . . 0.74 110.177 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 60.2 mt-10 -64.5 -46.03 84.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 1.57 109.873 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.86 -26.45 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 1.85 110.621 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 5.9 ttpt -59.77 -41.74 91.75 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.291 -0.633 . . . . 1.5 109.291 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.0 -41.05 95.75 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.068 -0.716 . . . . 1.64 109.068 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.51 -48.68 78.49 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-N 115.646 -0.707 . . . . 0.51 110.47 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -54.18 -42.61 69.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.193 0.52 . . . . 1.23 109.786 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 m -65.77 -28.05 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.42 -0.809 . . . . 0.77 111.843 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp -88.07 -39.08 14.9 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.315 -0.554 . . . . 1.43 111.464 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.776 ' CE2' HD12 ' B' ' 6' ' ' ILE . 24.1 m-85 -69.72 -40.68 76.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.543 0.611 . . . . 0.56 110.409 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.24 139.16 37.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.575 -0.739 . . . . 0.54 110.754 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -138.32 26.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.73 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -130.41 -27.02 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.85 -0.34 . . . . 0.57 111.564 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.41 8.01 56.56 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.271 -0.966 . . . . 0.59 111.788 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -32.5 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.693 0.283 . . . . 0.58 110.464 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.03 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.71 -0.757 . . . . 0.74 113.631 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.75 152.58 24.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.034 0.417 . . . . 0.47 111.45 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.635 HG23 HD13 ' A' ' 32' ' ' LEU . 1.4 mp -91.33 122.35 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.41 110.903 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -103.18 175.54 5.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.097 -1.075 . . . . 0.41 108.097 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -29.57 31.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.343 0.592 . . . . 0.6 109.633 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.7 -28.65 61.84 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.396 -0.82 . . . . 2.22 111.93 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 28.9 mt-10 -71.86 -51.89 20.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.122 0.487 . . . . 0.42 110.661 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.811 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.5 mp -69.01 -26.68 65.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.655 -0.702 . . . . 0.5 111.251 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.58 -39.91 97.12 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.01 -0.614 . . . . 0.5 111.754 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -59.84 -42.48 93.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.596 -0.302 . . . . 0.6 110.886 179.351 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.0 -37.01 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.956 0.408 . . . . 0.63 110.144 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 ttm -67.03 -15.39 63.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.439 0.638 . . . . 1.07 110.245 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -85.14 -36.41 21.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.018 -0.992 . . . . 1.82 109.35 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.6 -18.86 65.64 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.723 -0.671 . . . . 0.8 110.242 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.535 ' O ' ' HE2' ' A' ' 94' ' ' LYS . 89.7 mt -78.78 -0.21 29.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.86 111.294 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.72 23.2 56.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.857 -0.687 . . . . 0.89 112.598 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -129.84 139.24 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.161 -0.311 . . . . 1.25 110.161 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -119.43 94.59 48.56 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-O 120.737 0.303 . . . . 1.37 111.377 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.45 149.45 7.65 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.305 2.67 . . . . 0.74 111.736 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 p -96.88 -179.56 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.255 -0.278 . . . . 1.04 110.96 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 5.3 mm-40 -51.03 -30.52 15.63 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.531 0.567 . . . . 2.18 112.531 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.99 -50.29 29.97 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.425 0.631 . . . . 0.63 110.33 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.76 -39.55 73.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.043 -0.98 . . . . 1.57 110.971 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.45 ' O ' HG12 ' A' ' 52' ' ' ILE . 42.0 mt -64.26 -33.46 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.381 0.512 . . . . 0.64 112.381 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -84.13 -28.73 27.26 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.628 -0.878 . . . . 1.26 108.628 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.78 -42.74 97.69 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.857 -1.065 . . . . 1.38 110.471 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 19.2 mmt -58.73 -42.15 88.08 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.808 -0.633 . . . . 1.38 109.938 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.469 HG23 HG13 ' A' ' 63' ' ' ILE . 27.7 mm -69.8 -37.47 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.364 -0.835 . . . . 0.48 110.694 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.61 -33.0 67.77 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.385 -0.371 . . . . 1.4 111.234 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.06 -33.98 76.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.233 0.54 . . . . 2.84 109.666 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -87.26 -39.84 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 0.82 110.564 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.39 137.6 56.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.202 -0.908 . . . . 0.55 112.498 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.16 -13.3 2.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.262 -0.881 . . . . 0.68 110.558 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.531 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -85.92 -21.5 27.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.74 110.424 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.06 29.05 13.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.99 -0.624 . . . . 0.9 112.759 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.531 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -104.43 -28.4 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.211 0.506 . . . . 0.6 111.28 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.19 43.39 7.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.493 -0.861 . . . . 0.52 112.297 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.462 ' HB ' HD21 ' A' ' 60' ' ' ASN . 90.1 m -157.24 129.21 7.16 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 122.351 0.26 . . . . 0.57 110.328 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 52' ' ' ILE . 11.3 mt -70.15 98.18 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 115.908 -0.587 . . . . 0.46 109.6 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.49 -178.71 3.74 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.968 -0.56 . . . . 0.52 111.645 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.4 t80 -68.71 -50.14 25.7 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.278 0.473 . . . . 1.15 112.278 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 72.4 Cg_exo -48.96 -50.9 11.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.822 1.681 . . . . 0.63 112.486 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -71.28 -25.7 62.56 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.684 -0.235 . . . . 0.51 111.21 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.96 -40.15 95.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 1.44 109.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.59 -53.08 59.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.89 110.09 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -44.44 93.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.74 111.293 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.736 ' HG2' HD13 ' B' ' 4' ' ' LEU . 5.5 ttp -60.54 -47.15 87.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.71 110.974 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -66.48 -46.41 76.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.974 -0.557 . . . . 1.69 110.952 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.95 64.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.82 0.343 . . . . 0.63 111.39 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -58.85 -37.74 77.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.526 -0.761 . . . . 1.45 111.204 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 tppt? -93.29 -28.66 16.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.658 0.266 . . . . 0.86 111.22 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ttm -51.04 -41.12 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 1.68 110.195 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.82 46.77 2.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.37 -0.832 . . . . 1.95 109.59 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 56.8 t0 -71.86 99.15 2.14 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.125 -0.943 . . . . 1.41 111.094 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.0 p -140.6 17.62 2.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.214 1.007 . . . . 1.45 108.523 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.26 30.11 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.996 -1.456 . . . . 1.78 108.111 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.449 ' HB3' HG13 ' A' ' 85' ' ' ILE . 2.5 m -36.71 104.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 113.576 -1.647 . . . . 1.1 114.307 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -98.24 -68.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 1.86 109.42 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -106.33 -12.97 15.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.352 -0.84 . . . . 2.7 109.812 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 81' ' ' SER . 2.9 mm-40 -52.2 -49.23 64.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.047 -0.979 . . . . 1.27 112.181 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.65 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 6.9 mt -56.91 -41.99 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 O-C-N 123.256 0.348 . . . . 1.5 110.978 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -52.39 42.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.28 0.363 . . . . 2.57 111.166 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -55.81 17.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.117 -0.492 . . . . 1.47 111.667 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.84 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.077 -0.39 . . . . 0.41 111.452 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -77.26 -37.16 53.62 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 120.937 -0.305 . . . . 0.75 110.679 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -71.98 -19.42 61.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 2.35 110.494 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.822 HG21 ' SG ' ' B' ' 5' ' ' CYS . 68.5 t -86.34 -36.55 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.877 -0.601 . . . . 0.47 110.182 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -82.91 -34.85 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.545 -0.298 . . . . 0.47 110.828 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.23 88.58 6.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.172 0.511 . . . . 0.8 109.935 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' A' ' 39' ' ' LEU . 27.8 tttm -75.88 -23.59 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.706 . . . . 1.7 111.25 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -88.38 -17.06 31.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.436 -0.347 . . . . 0.67 111.835 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.12 36.12 92.56 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.442 -0.885 . . . . 0.72 111.967 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 99' ' ' TYR . 9.7 p-10 -98.74 -8.95 25.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.862 0.363 . . . . 0.72 110.357 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 19.13 67.26 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.816 -0.629 . . . . 0.58 112.78 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 39.7 m-85 -138.13 113.41 9.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.782 0.325 . . . . 1.57 111.271 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -94.81 133.37 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.229 -0.656 . . . . 0.69 109.229 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 103' ' ' ALA . 12.9 p -147.07 -163.67 1.82 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.023 -0.732 . . . . 1.14 109.023 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.22 19.93 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.302 1.049 . . . . 1.3 110.25 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.56 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -88.88 -81.87 0.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.343 -1.753 . . . . 0.93 110.741 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 -21.29 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.839 -0.619 . . . . 0.83 111.929 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.57 -43.97 96.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.63 110.243 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.3 ttm105 -63.74 -34.97 79.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 1.18 110.221 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -64.02 -52.37 59.82 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.625 -0.716 . . . . 0.83 110.29 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.28 -46.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.482 -0.326 . . . . 0.53 111.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -41.91 64.16 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.813 0.301 . . . . 0.86 111.813 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 m -79.41 -28.54 41.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.612 0.244 . . . . 0.67 111.465 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.55 -35.23 77.14 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.759 0.314 . . . . 0.88 111.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.65 -21.75 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.913 0.387 . . . . 0.93 110.624 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.16 27.0 29.42 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.053 -0.594 . . . . 0.89 112.225 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.4 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.1 mm-40 -87.66 173.76 8.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.108 0.48 . . . . 1.61 111.445 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.519 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 2.0 mptt -99.11 77.07 2.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.743 -0.662 . . . . 1.18 111.265 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 114' ' ' GLU . 3.3 mp -134.07 126.62 30.49 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.893 -0.41 . . . . 1.27 109.893 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -94.05 176.19 6.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.345 -0.388 . . . . 1.04 110.104 179.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.36 -37.54 75.41 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.852 -0.796 . . . . 1.38 108.852 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.94 -35.21 78.03 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.084 -0.962 . . . . 2.33 110.352 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HB2' ' N ' ' A' ' 117' ' ' THR . 4.3 mm-40 -69.88 -41.19 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.362 -0.381 . . . . 1.86 110.085 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.59 ' O ' ' HB ' ' A' ' 125' ' ' ILE . 79.8 t -59.3 -42.32 86.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.022 -0.535 . . . . 0.76 110.287 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 125' ' ' ILE . 11.2 t70 -71.17 -37.24 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.96 111.114 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.59 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 3.1 tp10 -64.49 -44.75 90.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 1.2 110.964 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.703 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 22.1 ttt -73.02 -39.28 66.14 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.715 0.293 . . . . 0.76 110.738 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . 0.59 ' HB ' ' O ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -53.03 -18.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 113.303 0.853 . . . . 0.92 113.303 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.59 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 13.2 mtm105 -94.31 15.6 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.903 -0.498 . . . . 0.94 111.444 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -40.77 29.23 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.549 -0.538 . . . . 2.04 109.549 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.81 -21.04 13.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.955 -0.566 . . . . 0.96 110.896 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 91.13 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.116 0.484 . . . . 0.87 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.2 mm -86.03 -32.32 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.536 -0.756 . . . . 1.01 111.274 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -70.33 -28.25 65.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.804 -0.634 . . . . 1.02 111.135 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.09 41.18 10.56 Favored Glycine 0 CA--C 1.508 -0.406 0 N-CA-C 111.236 -0.745 . . . . 0.94 111.236 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.06 -11.77 13.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.265 . . . . 0.95 111.337 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.66 13.78 66.69 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 121.225 -0.512 . . . . 0.84 113.66 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . 0.527 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 39.5 mt-30 -130.75 107.54 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.002 0.401 . . . . 1.26 110.946 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.586 HG23 HD13 ' A' ' 125' ' ' ILE . 66.7 t -76.46 103.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.847 -0.797 . . . . 0.69 108.847 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -82.55 179.48 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.709 -0.397 . . . . 0.97 110.441 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.16 -45.99 79.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.35 111.361 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.88 -46.19 89.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.109 0.481 . . . . 2.6 110.91 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.59 -39.22 93.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.586 . . . . 0.66 110.061 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.408 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 54.3 t80 -67.6 -48.15 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.88 111.415 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.88 -41.75 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.321 -0.399 . . . . 0.7 111.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.74 -12.84 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.975 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.594 ' SD ' ' HB3' ' B' ' 15' ' ' GLN . 1.9 tmm? -109.69 -36.78 5.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.361 -0.381 . . . . 0.89 111.689 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.562 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -82.24 -39.76 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.047 0.388 . . . . 1.47 112.047 -178.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 m -99.5 -10.59 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.434 . . . . 1.07 111.8 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.561 -0.29 . . . . 1.33 110.758 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.455 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.273 0.559 . . . . 2.55 110.355 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -16.23 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.471 2.026 . . . . 1.88 116.471 -178.507 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.811 ' SG ' HD21 ' A' ' 32' ' ' LEU . 99.7 m -63.33 -38.71 92.22 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.208 -0.933 . . . . 0.64 112.905 -177.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.736 HD13 ' HG2' ' A' ' 71' ' ' MET . 9.9 tp -70.49 -35.3 73.17 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 111.611 0.226 . . . . 1.25 111.611 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.822 ' SG ' HG21 ' A' ' 91' ' ' VAL . 6.7 p -67.76 -27.24 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.778 -0.823 . . . . 0.61 108.778 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.776 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -65.49 -39.98 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.403 -1.332 . . . . 0.62 107.403 176.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 3' ' ' CYS . 23.3 t -65.68 -40.84 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.951 -1.022 . . . . 0.57 109.427 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.562 HG22 ' SD ' ' A' ' 145' ' ' MET . 1.5 m -67.23 -39.93 86.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.982 0.42 . . . . 0.63 110.354 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -61.88 -36.04 80.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.469 0.652 . . . . 0.83 109.812 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -39.99 72.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.511 -0.768 . . . . 2.03 109.634 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -62.19 -47.91 82.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.84 -0.8 . . . . 1.32 108.84 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.9 t80 -60.49 -41.54 94.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.103 -0.953 . . . . 1.21 110.343 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.703 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 10.5 ttt180 -77.44 -10.42 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 3.1 111.213 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -94.5 -19.94 20.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.713 0.768 . . . . 1.47 108.986 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.594 ' HB3' ' SD ' ' A' ' 144' ' ' MET . 0.1 OUTLIER -84.06 -17.2 41.1 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.902 -1.045 . . . . 1.41 111.054 -179.032 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -46.94 85.5 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.451 -0.574 . . . . 2.65 109.451 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.82 77.32 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.837 0.827 . . . . 4.01 109.921 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -128.31 -35.74 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.788 -1.097 . . . . 3.44 109.694 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.609 -0.71 . . . . 4.48 109.97 179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.235 0.311 0 CA-C-O 121.145 0.498 . . . . 1.25 111.064 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.21 -41.01 83.1 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.635 -0.711 . . . . 1.97 111.368 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.05 -49.12 74.63 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.127 -0.694 . . . . 1.98 109.127 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.82 -48.48 81.53 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.49 -0.777 . . . . 1.62 110.146 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.9 -38.88 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 1.13 110.695 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.88 60.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.219 -0.446 . . . . 0.74 110.77 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -63.46 -52.25 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.173 0.511 . . . . 1.57 110.359 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -59.83 -29.44 68.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 1.85 111.673 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 25.8 ttpt -60.5 -41.98 95.41 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.269 0.557 . . . . 1.5 110.309 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.08 -41.0 99.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.106 -0.702 . . . . 1.64 109.106 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -47.24 85.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.51 110.09 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.29 -42.13 73.21 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.065 0.46 . . . . 1.23 109.996 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -68.9 -15.11 63.4 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.566 -0.743 . . . . 0.77 110.925 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.97 -48.15 7.64 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 109.301 -0.629 . . . . 1.43 109.301 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' HD12 ' B' ' 6' ' ' ILE . 27.8 m-85 -68.4 -44.13 75.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.281 -0.418 . . . . 0.56 110.689 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -80.07 138.66 37.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.54 111.266 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -137.73 -6.83 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.824 0.305 . . . . 0.73 111.824 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -96.29 -13.31 23.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.642 -0.423 . . . . 0.57 110.549 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.71 80.88 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.937 -0.649 . . . . 0.59 112.433 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.8 -30.34 26.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.981 0.419 . . . . 0.58 109.937 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.11 -21.8 42.99 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.903 -0.59 . . . . 0.74 113.329 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.402 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -92.1 140.55 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 0.47 111.241 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.597 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.77 127.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.741 . . . . 0.41 110.384 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -116.86 178.35 4.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.567 -0.531 . . . . 0.41 109.567 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -83.68 -28.7 28.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.061 0.458 . . . . 0.6 110.402 -179.186 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HD3' ' O ' ' A' ' 30' ' ' LYS . 6.8 tmtt? -78.32 -27.94 47.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.176 -0.465 . . . . 2.22 110.926 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.0 mt-10 -75.54 -54.83 6.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 122.328 -0.233 . . . . 0.42 110.851 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.691 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.6 mp -60.74 -37.56 82.18 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.188 0.518 . . . . 0.5 111.195 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.08 -35.5 64.68 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.6 -0.727 . . . . 0.5 111.641 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.5 m -60.56 -46.32 90.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.86 0.362 . . . . 0.6 110.043 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 11.0 t -66.72 -41.64 88.31 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 121.669 -0.644 . . . . 0.63 110.843 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.7 ttm -68.22 -11.13 58.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.984 -1.007 . . . . 1.07 111.01 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -85.88 -42.73 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.478 -0.564 . . . . 1.82 109.478 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -15.05 61.96 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.746 -0.661 . . . . 0.8 110.062 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 17.7 mt -69.3 -14.65 63.06 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.857 -0.611 . . . . 0.86 110.681 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 94' ' ' LYS . . . 98.87 17.9 26.57 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.286 -0.483 . . . . 0.89 112.695 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.57 156.68 43.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.763 0.316 . . . . 1.25 110.422 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -128.5 106.99 19.04 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.392 -0.367 . . . . 1.37 110.77 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -91.48 138.5 2.18 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.657 2.238 . . . . 0.74 113.057 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 p -87.25 176.01 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 1.04 110.031 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -52.78 -38.25 60.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.919 0.39 . . . . 2.18 110.717 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.22 76.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.63 110.708 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -41.42 71.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.567 0.699 . . . . 1.57 110.14 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 23.3 mt -63.89 -23.8 67.49 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.44 -0.8 . . . . 0.64 111.22 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.453 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -88.01 -37.53 16.26 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.101 -0.703 . . . . 1.26 109.101 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.25 -42.61 95.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.43 -1.259 . . . . 1.38 110.483 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 10.6 mmt -63.59 -51.76 63.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.705 -0.68 . . . . 1.38 111.197 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.45 -38.42 81.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.887 -0.597 . . . . 0.48 110.532 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -52.6 -35.46 54.34 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 1.4 111.905 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.42 -36.58 73.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.96 -0.564 . . . . 2.84 111.16 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' VAL . . . . . 0.434 HG11 HG23 ' A' ' 63' ' ' ILE . 14.9 t -97.59 -43.83 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-N 116.105 -0.498 . . . . 0.82 111.205 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 12.3 t70 -68.3 103.29 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.113 0.483 . . . . 0.55 111.26 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.11 -5.15 14.81 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.53 0.681 . . . . 0.68 110.032 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.42 28.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.151 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 50.28 4.46 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 116.135 -0.484 . . . . 0.9 112.556 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.65 -25.98 3.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.741 0.305 . . . . 0.6 110.407 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.466 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.35 40.86 7.67 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.999 -0.619 . . . . 0.52 112.062 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 m -155.25 130.28 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.477 0.18 . . . . 0.57 110.915 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.597 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 16.3 mt -77.21 95.2 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.383 -0.969 . . . . 0.46 108.383 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -98.11 177.61 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.52 111.184 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -50.63 78.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 112.942 0.719 . . . . 1.15 112.942 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.06 -52.32 9.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.059 1.839 . . . . 0.63 112.157 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.17 -28.38 68.06 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 121.165 0.507 . . . . 0.51 110.134 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 31.8 t80 -63.92 -36.17 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 1.44 110.215 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 mt -70.54 -53.5 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.741 -0.663 . . . . 0.89 109.433 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -56.14 -49.31 74.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.963 -1.017 . . . . 0.74 110.909 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' MET . . . . . 0.638 ' CG ' HD22 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -62.9 -39.43 94.5 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.23 -0.895 . . . . 0.71 111.567 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 ttm -67.57 -43.59 80.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.242 -0.436 . . . . 1.69 110.421 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.93 63.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.64 0.733 . . . . 0.63 109.923 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -79.2 -2.14 39.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.277 -0.874 . . . . 1.45 111.309 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -129.14 -9.23 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.184 0.516 . . . . 0.86 111.735 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.0 ttm -72.05 -40.18 68.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.155 0.502 . . . . 1.68 109.857 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -142.46 54.5 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.99 -0.55 . . . . 1.95 110.298 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -68.81 117.7 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.109 0.48 . . . . 1.41 111.076 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 HG23 ' A' ' 146' ' ' THR . 26.6 p -130.55 11.63 5.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.72 0.772 . . . . 1.45 109.001 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.06 20.75 8.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.023 -0.99 . . . . 1.78 109.566 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' SER . . . . . 0.466 ' HB3' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -38.66 103.96 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.939 1.829 . . . . 1.1 115.939 -177.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.25 -69.47 0.81 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.705 -1.22 . . . . 1.86 107.705 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -110.99 -7.04 14.57 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 109.268 -0.642 . . . . 2.7 109.268 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.69 -58.14 9.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.74 . . . . 1.27 111.835 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ILE . . . . . 0.624 ' CD1' ' HA ' ' A' ' 142' ' ' VAL . 6.3 mt -63.1 -31.18 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.827 -0.624 . . . . 1.5 110.02 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD3' ' OH ' ' A' ' 138' ' ' TYR . 3.2 tpt180 -65.59 -44.65 85.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.259 -0.645 . . . . 2.57 109.259 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.423 ' HG3' ' HB3' ' B' ' 1' ' ' MET . 0.0 OUTLIER -50.18 -53.71 25.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.893 -0.594 . . . . 1.47 110.743 178.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.97 -24.11 61.54 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.25 0.463 . . . . 0.41 112.25 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.3 t80 -72.13 -39.38 68.88 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.252 -1.018 . . . . 0.75 108.252 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -28.81 63.1 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.858 -1.065 . . . . 2.35 110.54 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.753 HG21 ' SG ' ' B' ' 5' ' ' CYS . 32.3 t -73.74 -40.31 53.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.342 -0.39 . . . . 0.47 110.828 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.54 -36.47 38.33 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.47 110.647 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.19 89.46 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.954 -0.566 . . . . 0.8 109.517 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 40' ' ' GLY . 23.6 tttm -71.6 -37.62 70.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 1.7 112.893 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -70.83 -12.8 61.76 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.8 0.296 . . . . 0.67 111.8 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.93 24.27 71.47 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.048 -0.596 . . . . 0.72 112.53 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . 0.576 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -85.55 -21.79 28.4 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.648 0.261 . . . . 0.72 110.545 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.91 30.36 8.99 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.317 -0.944 . . . . 0.58 112.964 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.576 ' HB2' HD21 ' A' ' 97' ' ' ASN . 13.9 m-85 -150.62 111.96 4.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.439 0.638 . . . . 1.57 111.359 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -87.41 133.86 29.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.264 -0.88 . . . . 0.69 110.987 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.09 -173.67 4.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.685 -0.857 . . . . 1.14 108.685 179.026 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.96 5.74 3.1 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 122.631 1.205 . . . . 1.3 109.387 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.67 -74.62 0.15 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 112.955 -1.929 . . . . 0.93 108.223 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -88.41 -21.25 24.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.44 0.904 . . . . 0.83 113.44 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.07 -41.26 92.03 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 120.096 -0.642 . . . . 0.63 109.374 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -58.5 -45.64 88.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.857 -0.61 . . . . 1.18 110.098 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.77 -50.16 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.368 -0.833 . . . . 0.83 111.403 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' GLU . 3.2 t -69.59 -39.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.833 0.308 . . . . 0.53 111.833 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -46.41 86.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.452 0.168 . . . . 0.86 111.08 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -72.93 -27.6 61.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.339 -0.391 . . . . 0.67 110.948 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -39.11 68.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.829 0.307 . . . . 0.88 111.829 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.7 -10.91 60.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.622 0.249 . . . . 0.93 111.67 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 36.05 30.54 Favored Glycine 0 CA--C 1.507 -0.439 0 C-N-CA 120.659 -0.781 . . . . 0.89 112.141 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -87.23 166.47 14.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.165 0.507 . . . . 1.61 111.045 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD2' ' OE1' ' A' ' 114' ' ' GLU . 0.6 OUTLIER -93.97 64.79 3.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.516 -0.765 . . . . 1.18 110.255 -179.309 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 114' ' ' GLU . 5.2 mp -138.11 125.49 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 1.27 111.849 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -92.66 -176.49 4.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 1.04 110.279 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -47.03 79.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.895 0.331 . . . . 1.38 111.895 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -68.91 -23.38 64.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.355 -0.384 . . . . 2.33 111.478 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.81 -33.5 66.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.59 0.709 . . . . 1.86 109.093 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -65.05 -44.09 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.76 109.425 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -47.09 85.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.502 -0.555 . . . . 0.96 109.502 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.488 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 16.9 tp10 -56.83 -48.96 76.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.836 -0.62 . . . . 1.2 111.302 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' MET . . . . . 0.777 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.0 ttt -65.19 -45.92 82.87 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.23 -0.441 . . . . 0.76 111.352 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.54 -28.79 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 112.345 0.498 . . . . 0.92 112.345 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' ARG . . . . . 0.488 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 23.8 mtm105 -85.22 19.55 2.21 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.639 0.607 . . . . 0.94 112.639 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' GLU . . . . . 0.484 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -94.76 -48.89 5.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.655 -0.418 . . . . 2.04 110.852 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ALA . . . . . 0.748 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -91.87 -26.72 18.35 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.96 110.787 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.61 108.53 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.569 0.543 . . . . 0.87 109.686 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.2 mm -102.27 -30.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 1.01 111.926 -177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 133' ' ' ASP . 6.2 p-10 -79.81 -11.6 59.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 1.02 109.298 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 59.32 7.23 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.94 113.381 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ASP . . . . . 0.481 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 2.5 p-10 -118.54 -5.71 10.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.752 0.276 . . . . 0.95 110.732 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.55 -1.33 78.81 Favored Glycine 0 N--CA 1.46 0.265 0 C-N-CA 120.94 -0.647 . . . . 0.84 113.136 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.09 141.71 51.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.028 0.442 . . . . 1.26 110.851 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' VAL . . . . . 0.407 HG21 ' OH ' ' B' ' 12' ' ' TYR . 58.3 t -99.66 113.14 34.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.843 -0.799 . . . . 0.69 108.843 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -86.72 -179.99 6.67 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.465 -0.494 . . . . 0.97 110.848 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' TYR . . . . . 0.557 ' O ' HG23 ' A' ' 142' ' ' VAL . 1.9 t80 -55.99 -50.21 71.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 1.35 112.289 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.77 -37.26 84.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.336 0.495 . . . . 2.6 112.336 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.092 0.472 . . . . 0.66 109.868 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 18.7 t80 -71.61 -39.69 70.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.971 -0.559 . . . . 0.88 110.347 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' VAL . . . . . 0.624 ' HA ' ' CD1' ' A' ' 85' ' ' ILE . 32.5 t -52.09 -51.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.502 0.668 . . . . 0.7 110.869 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.55 -44.01 95.4 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.224 -0.898 . . . . 1.5 111.2 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' MET . . . . . 0.748 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.3 mmm -62.72 -36.62 83.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.887 -0.597 . . . . 0.89 111.922 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . 0.576 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -75.33 -39.78 59.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 1.47 110.215 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 79' ' ' THR . 90.4 m -66.78 -58.36 5.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.071 -0.513 . . . . 1.07 111.996 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.522 . . . . 1.33 111.329 -179.698 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.884 -0.784 . . . . 2.55 108.884 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ASP . . . . . 0.536 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -28.16 -72.31 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 115.687 1.736 . . . . 1.88 115.687 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' CYS . . . . . 0.691 ' SG ' HD21 ' A' ' 32' ' ' LEU . 79.1 m -65.7 -26.76 67.92 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.88 0.696 . . . . 0.64 112.88 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.638 HD22 ' CG ' ' A' ' 71' ' ' MET . 6.4 tp -81.5 -34.61 31.17 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.07 0.548 . . . . 1.25 110.411 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' CYS . . . . . 0.753 ' SG ' HG21 ' A' ' 91' ' ' VAL . 16.8 p -69.62 -25.31 63.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.859 -1.163 . . . . 0.61 107.859 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ILE . . . . . 0.685 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.14 -43.32 95.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 106.999 -1.482 . . . . 0.62 106.999 176.039 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 3' ' ' CYS . 23.5 t -61.08 -43.89 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.201 -0.909 . . . . 0.57 109.67 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' THR . . . . . 0.576 HG23 ' SD ' ' A' ' 145' ' ' MET . 8.3 m -63.67 -43.51 96.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.603 -0.517 . . . . 0.63 109.603 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 49.5 m -58.52 -37.74 76.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.367 0.603 . . . . 0.83 109.786 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -70.38 -40.99 73.66 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.035 -0.53 . . . . 2.03 110.762 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.9 -45.17 82.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.96 -0.756 . . . . 1.32 108.96 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 79.9 t80 -63.52 -44.09 95.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 1.21 110.626 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.777 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 8.2 ttp85 -72.5 -20.23 61.4 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.767 -0.651 . . . . 3.1 111.24 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -91.47 -14.38 30.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.19 0.519 . . . . 1.47 110.642 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' B' ' 15' ' ' GLN . 1.7 tp60 -76.38 -23.77 54.1 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.45 -0.795 . . . . 1.41 110.745 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -23.91 67.48 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.36 0.6 . . . . 2.65 109.685 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -73.87 72.65 1.58 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.659 0.742 . . . . 4.01 109.834 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -137.9 -43.64 0.52 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.65 -0.705 . . . . 3.44 110.089 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.078 -0.965 . . . . 4.48 108.987 177.878 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.432 HD23 HD11 ' A' ' 9' ' ' ILE . 19.1 tp . . . . . 0 N--CA 1.475 0.789 0 CA-C-O 121.128 0.489 . . . . 1.71 110.963 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.96 134.03 55.56 Favored 'General case' 0 N--CA 1.451 -0.404 0 CA-C-N 115.304 -0.862 . . . . 1.25 111.939 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 93.7 mt-10 -59.71 -33.74 72.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.754 -0.657 . . . . 1.97 110.754 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.621 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 3.1 mp0 -60.98 -45.83 93.19 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.177 -0.675 . . . . 1.98 109.177 179.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.46 -46.86 86.56 Favored 'General case' 0 N--CA 1.454 -0.272 0 CA-C-N 115.86 -0.609 . . . . 1.62 109.475 178.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.432 HD11 HD23 ' A' ' 4' ' ' LEU . 23.2 mm -51.72 -44.84 36.59 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 CA-C-N 116.514 -0.312 . . . . 1.13 111.27 178.142 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -67.21 -29.66 69.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 0.74 110.675 179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.621 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 75.3 mt-10 -73.46 -47.73 39.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.323 -0.398 . . . . 1.57 109.953 178.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -60.16 -28.45 67.93 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-O 121.095 0.474 . . . . 1.85 110.203 178.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.2 ttpt -58.11 -38.13 75.88 Favored 'General case' 0 N--CA 1.447 -0.6 0 N-CA-C 108.897 -0.779 . . . . 1.5 108.897 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -66.57 -46.05 77.29 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-N 115.713 -0.676 . . . . 1.64 110.361 179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.626 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -58.75 -51.43 70.0 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.21 -0.45 . . . . 0.51 111.117 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.448 ' HZ ' ' O ' ' A' ' 25' ' ' GLY . 43.7 t80 -55.44 -35.55 65.56 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.236 -0.893 . . . . 1.23 110.128 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 25.1 m -69.24 -23.82 63.92 Favored 'General case' 0 C--N 1.314 -0.936 0 O-C-N 124.156 0.91 . . . . 0.77 112.106 -179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -89.24 -35.58 16.1 Favored 'General case' 0 N--CA 1.455 -0.211 0 C-N-CA 119.818 -0.753 . . . . 1.43 111.156 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.774 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -69.41 -38.28 77.86 Favored 'General case' 0 N--CA 1.461 0.097 0 CA-C-N 118.039 0.382 . . . . 0.56 110.806 179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -81.49 132.62 35.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.876 0.369 . . . . 0.54 110.997 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.4 mmtm -133.8 20.8 3.85 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.099 -0.5 . . . . 0.73 111.609 -179.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.1 p30 -128.51 -17.38 4.16 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.527 -0.306 . . . . 0.57 111.76 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.47 20.36 69.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 121.006 -0.616 . . . . 0.59 112.369 179.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -88.7 -35.61 16.65 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.772 0.32 . . . . 0.58 110.524 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.448 ' O ' ' HZ ' ' A' ' 16' ' ' PHE . . . 100.24 15.65 29.74 Favored Glycine 0 N--CA 1.446 -0.639 0 C-N-CA 120.413 -0.898 . . . . 0.74 113.291 179.061 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 2.5 m -133.04 142.47 48.81 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 109.884 -0.413 . . . . 0.47 109.884 178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.556 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.7 mt -81.46 124.31 38.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 N-CA-C 110.064 -0.347 . . . . 0.41 110.064 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 67.0 p -110.55 177.42 4.69 Favored 'General case' 0 C--N 1.317 -0.846 0 CA-C-O 120.837 0.351 . . . . 0.41 110.337 178.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -82.69 -32.63 27.98 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 121.365 0.602 . . . . 0.6 110.195 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -69.46 -33.5 73.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.756 -0.656 . . . . 2.22 111.682 -179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -72.84 -56.26 5.47 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-O 120.774 0.321 . . . . 0.42 110.615 -178.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.722 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.5 mp -64.62 -35.85 82.35 Favored 'General case' 0 CA--C 1.518 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.5 111.254 -179.164 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.6 72.22 Favored Glycine 0 N--CA 1.451 -0.33 0 N-CA-C 111.139 -0.784 . . . . 0.5 111.139 179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 23.7 m -62.49 -40.57 97.13 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 115.65 -0.275 . . . . 0.6 110.943 179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 45.9 t -71.9 -41.47 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 CA-C-O 120.911 0.386 . . . . 0.63 110.024 179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 34.7 ttm -66.77 -11.51 55.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.615 0.722 . . . . 1.07 110.421 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 37' ' ' ARG . 0.4 OUTLIER -88.3 -40.99 13.18 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 114.89 -1.05 . . . . 1.82 108.707 179.742 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 5.2 m -71.05 -3.01 17.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.351 -0.841 . . . . 0.8 110.664 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.9 mt -86.7 -3.3 59.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.067 -0.515 . . . . 0.86 110.922 179.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 94.85 31.05 7.97 Favored Glycine 0 N--CA 1.449 -0.44 0 C-N-CA 120.387 -0.911 . . . . 0.89 112.0 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.0 mt-30 -140.03 162.64 34.73 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 110.048 -0.353 . . . . 1.25 110.048 -179.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 -142.47 96.67 6.25 Favored Pre-proline 0 C--N 1.32 -0.701 0 N-CA-C 109.393 -0.595 . . . . 1.37 109.393 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 34.4 Cg_endo -93.36 149.95 2.43 Favored 'Trans proline' 0 N--CA 1.452 -0.967 0 C-N-CA 123.148 2.565 . . . . 0.74 112.801 -179.207 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 65.8 p -92.64 178.43 5.8 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.182 -0.463 . . . . 1.04 109.99 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.95 -32.76 34.6 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 112.19 0.441 . . . . 2.18 112.19 179.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.47 -40.59 70.17 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.148 0.499 . . . . 0.63 111.054 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.582 ' O ' ' HG2' ' A' ' 51' ' ' MET . 4.9 mp0 -75.7 -41.84 52.57 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.397 -0.82 . . . . 1.57 110.592 -179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 31.0 mt -58.45 -36.24 73.37 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.554 -0.748 . . . . 0.64 112.207 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -85.72 -23.42 27.36 Favored 'General case' 0 C--N 1.325 -0.494 0 C-N-CA 120.282 -0.567 . . . . 1.26 110.08 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.6 t70 -63.41 -41.7 98.73 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.905 -0.589 . . . . 1.38 110.217 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.582 ' HG2' ' O ' ' A' ' 47' ' ' GLU . 12.2 mmt -64.76 -43.81 92.07 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.113 -0.948 . . . . 1.38 109.828 178.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 43.2 mm -65.15 -42.6 94.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 114.911 -1.04 . . . . 0.48 111.394 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 59.9 t30 -55.11 -28.61 53.82 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.368 -0.378 . . . . 1.4 111.368 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.2 tm-20 -62.88 -35.32 79.63 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.707 -0.679 . . . . 2.84 110.775 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 56.6 t -94.9 -33.31 4.87 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 CA-C-N 115.704 -0.68 . . . . 0.82 109.869 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.7 t70 -67.72 123.46 20.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.415 -0.811 . . . . 0.55 111.717 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.69 -15.67 7.88 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.964 -0.562 . . . . 0.68 110.712 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.467 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.0 -31.51 34.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.74 111.038 -179.715 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.14 25.47 8.34 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.57 -0.824 . . . . 0.9 113.196 178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.467 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -106.24 -25.55 11.92 Favored 'General case' 0 C--N 1.324 -0.522 0 C-N-CA 120.751 -0.38 . . . . 0.6 111.369 -179.834 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 85.58 48.18 4.84 Favored Glycine 0 CA--C 1.523 0.563 0 C-N-CA 120.393 -0.908 . . . . 0.52 112.396 -179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 84.3 m -159.13 134.56 8.49 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 122.743 0.417 . . . . 0.57 109.924 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.556 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 49.3 mt -77.62 93.88 1.35 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.305 0 N-CA-C 109.567 -0.531 . . . . 0.46 109.567 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.79 -179.01 4.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.07 -0.514 . . . . 0.52 110.908 -179.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.82 -51.27 49.4 Favored Pre-proline 0 CA--C 1.538 0.517 0 N-CA-C 113.643 0.979 . . . . 1.15 113.643 -177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_exo -51.44 -47.27 26.9 Favored 'Trans proline' 0 C--N 1.355 0.892 0 C-N-CA 121.841 1.694 . . . . 0.63 112.772 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -71.5 -30.49 66.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.432 -0.349 . . . . 0.51 110.62 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.48 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.4 t80 -65.22 -38.98 92.1 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.768 -0.651 . . . . 1.44 110.369 -178.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.0 mt -66.57 -51.09 60.31 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.31 -0.405 . . . . 0.89 110.725 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.02 -44.58 92.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.036 0.446 . . . . 0.74 110.535 179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.748 ' HG2' HD13 ' B' ' 4' ' ' LEU . 6.5 ttp -59.2 -43.22 92.26 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.795 -0.639 . . . . 0.71 110.607 179.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.48 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 5.2 tmm? -65.88 -44.81 84.26 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.825 -0.625 . . . . 1.69 110.422 -179.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -60.0 -30.3 69.05 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.113 0.482 . . . . 0.63 110.091 178.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.0 ttm180 -70.23 -15.16 62.88 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-N 115.53 -0.759 . . . . 1.45 111.49 179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.823 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.1 OUTLIER -116.53 -39.85 3.29 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.361 -0.536 . . . . 0.86 111.907 -179.409 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.459 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 2.5 tmm? -51.08 -35.88 37.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-O 121.194 0.521 . . . . 1.68 110.877 179.315 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -123.47 31.45 5.93 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.62 -0.718 . . . . 1.95 110.613 -179.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -72.42 117.68 14.39 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.034 0.445 . . . . 1.41 111.315 -179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.7 p -142.71 16.85 1.98 Allowed 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.303 -0.862 . . . . 1.45 109.242 178.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -133.52 30.51 3.81 Favored 'General case' 0 CA--C 1.511 -0.534 0 N-CA-C 107.523 -1.288 . . . . 1.78 107.523 179.308 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.2 m -41.61 110.63 0.17 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 113.67 -1.604 . . . . 1.1 114.269 -177.455 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 82' ' ' GLU . 5.3 tp10 -108.77 -77.05 0.6 Allowed 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.53 -0.915 . . . . 1.86 108.53 177.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -89.43 -21.35 23.06 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 108.912 -0.773 . . . . 2.7 108.912 177.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.461 ' HB3' ' HE2' ' A' ' 75' ' ' LYS . 7.0 mm-40 -52.17 -41.08 62.31 Favored 'General case' 0 C--O 1.239 0.524 0 CA-C-N 114.683 -1.144 . . . . 1.27 112.044 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.608 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 33.4 mt -56.39 -47.76 80.93 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.503 0 CA-C-O 121.286 0.565 . . . . 1.5 109.752 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.7 -43.41 96.68 Favored 'General case' 0 N--CA 1.437 -1.111 0 CA-C-N 115.584 -0.734 . . . . 2.57 112.005 -178.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.645 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 26.6 tt0 -48.12 -64.84 0.68 Allowed 'General case' 0 CA--C 1.516 -0.333 0 CA-C-O 121.405 0.621 . . . . 1.47 112.265 178.572 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.28 -23.15 65.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.022 -0.535 . . . . 0.41 111.622 -178.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.608 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -73.16 -35.71 66.5 Favored 'General case' 0 C--O 1.22 -0.476 0 CA-C-O 121.092 0.472 . . . . 0.75 110.197 -179.823 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 32.0 mtp85 -79.79 -18.93 49.78 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.843 -0.617 . . . . 2.35 110.931 -179.512 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.695 HG21 ' SG ' ' B' ' 5' ' ' CYS . 98.3 t -85.61 -35.63 9.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.116 -0.493 . . . . 0.47 109.836 178.276 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.8 m-85 -83.97 -44.39 14.23 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-N 116.479 -0.328 . . . . 0.47 110.72 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -84.15 97.11 9.18 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-O 121.735 0.779 . . . . 0.8 109.921 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 37.7 tttm -82.33 -32.82 29.19 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 114.638 -1.165 . . . . 1.7 111.703 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 15.1 p30 -75.03 -26.41 59.46 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.687 -0.405 . . . . 0.67 111.539 -178.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 78.01 35.15 35.65 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.844 -0.693 . . . . 0.72 111.703 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.577 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -101.5 -19.05 15.69 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.984 0.421 . . . . 0.72 110.193 179.6 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 91.83 21.14 34.54 Favored Glycine 0 CA--C 1.525 0.665 0 C-N-CA 120.802 -0.713 . . . . 0.58 113.548 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.685 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 7.6 m-85 -143.36 110.61 5.74 Favored 'General case' 0 C--O 1.237 0.413 0 CA-C-N 117.036 0.418 . . . . 1.57 110.162 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.461 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 5.8 mt -83.36 150.68 4.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.436 0 CA-C-N 116.42 -0.354 . . . . 0.69 110.667 -179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.464 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.5 p -153.78 -177.5 6.43 Favored 'General case' 0 C--N 1.331 -0.236 0 N-CA-C 110.595 -0.15 . . . . 1.14 110.595 179.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.02 3.55 4.29 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-O 122.466 1.127 . . . . 1.3 109.699 178.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.464 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.61 -68.43 0.68 Allowed 'General case' 0 C--N 1.313 -1.016 0 CA-C-N 113.269 -1.787 . . . . 0.93 108.51 178.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -76.88 -34.9 57.74 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 114.846 -1.07 . . . . 0.83 112.224 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.606 HD23 HG13 ' A' ' 121' ' ' VAL . 24.2 tp -61.1 -39.42 89.9 Favored 'General case' 0 C--N 1.333 -0.141 0 C-N-CA 120.934 -0.306 . . . . 0.63 111.127 -178.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.3 ttm180 -59.61 -43.61 93.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.349 -0.387 . . . . 1.18 110.329 179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.81 -50.42 73.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.783 -0.644 . . . . 0.83 110.795 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 42.5 t -63.04 -42.03 95.09 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.252 0 N-CA-C 112.256 0.465 . . . . 0.53 112.256 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -34.96 77.68 Favored 'General case' 0 C--O 1.235 0.325 0 CA-C-O 120.992 0.425 . . . . 0.86 111.204 -179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.5 m -82.15 -29.75 31.43 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.95 -0.568 . . . . 0.67 110.566 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -68.71 -38.71 80.46 Favored 'General case' 0 CA--C 1.517 -0.297 0 CA-C-N 115.947 -0.57 . . . . 0.88 110.5 -179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.466 HD22 HD11 ' B' ' 6' ' ' ILE . 56.8 mt -75.4 -33.71 60.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.728 -0.669 . . . . 0.93 109.85 179.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 92.81 33.88 7.18 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.998 -0.62 . . . . 0.89 113.16 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.29 164.48 22.18 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 110.217 -0.29 . . . . 1.61 110.217 179.397 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -85.23 64.93 8.95 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.735 0.302 . . . . 1.18 111.787 -178.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.8 mp -132.63 128.91 38.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.941 0.4 . . . . 1.27 110.766 179.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 34.8 p -90.11 -175.58 4.6 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 109.465 -0.568 . . . . 1.04 109.465 178.529 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -64.42 -36.8 85.33 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.24 0.543 . . . . 1.38 110.765 179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -72.97 -27.83 62.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.055 -0.52 . . . . 2.33 110.981 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -72.97 -32.22 65.07 Favored 'General case' 0 C--O 1.233 0.227 0 CA-C-O 121.408 0.623 . . . . 1.86 109.941 179.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.606 HG13 HD23 ' A' ' 105' ' ' LEU . 54.0 t -65.69 -44.25 93.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.471 -0.786 . . . . 0.76 110.844 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -67.82 -36.83 81.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.943 0.401 . . . . 0.96 111.026 -179.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.423 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.4 tp10 -66.4 -49.51 66.58 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.734 -0.666 . . . . 1.2 110.447 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.798 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -60.51 -42.11 95.73 Favored 'General case' 0 C--O 1.217 -0.629 0 CA-C-N 115.66 -0.7 . . . . 0.76 109.979 179.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.452 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.7 mm -51.91 -29.41 11.11 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 N-CA-C 112.709 0.633 . . . . 0.92 112.709 -179.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.455 ' HA ' ' HB3' ' A' ' 129' ' ' ASP . 22.6 mtm105 -84.67 13.93 5.2 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 112.436 0.532 . . . . 0.94 112.436 -178.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.29 -41.96 19.45 Favored 'General case' 0 N--CA 1.454 -0.265 0 N-CA-C 108.886 -0.783 . . . . 2.04 108.886 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.407 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -99.98 -13.48 19.08 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.737 -0.665 . . . . 0.96 110.521 179.064 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.455 ' HB3' ' HA ' ' A' ' 126' ' ' ARG . 39.3 t0 -77.34 99.07 5.42 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.276 -0.42 . . . . 0.87 110.023 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 48.5 mm -83.78 -47.67 17.71 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.96 -0.564 . . . . 1.01 111.544 -179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -73.74 -18.3 61.0 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.478 -0.328 . . . . 1.02 111.305 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 69.98 49.77 32.76 Favored Glycine 0 N--CA 1.443 -0.871 0 C-N-CA 120.358 -0.925 . . . . 0.94 110.841 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.43 -7.7 24.02 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.118 0.485 . . . . 0.95 110.33 -179.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 93.85 4.52 63.38 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.769 -0.651 . . . . 0.84 111.79 179.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.461 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 11.7 mt-30 -135.96 157.95 45.59 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.379 0.609 . . . . 1.26 111.432 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 96.5 t -114.95 114.8 47.57 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 N-CA-C 108.12 -1.067 . . . . 0.69 108.12 177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.685 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 30.9 p30 -92.16 176.26 6.56 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.456 -0.497 . . . . 0.97 110.433 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.567 ' O ' HG23 ' A' ' 142' ' ' VAL . 10.7 t80 -54.92 -48.01 73.65 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.789 -0.641 . . . . 1.35 111.182 -179.263 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 30.7 mp0 -58.2 -46.1 86.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.969 0.414 . . . . 2.6 111.44 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -64.42 -38.51 91.27 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.8 -0.636 . . . . 0.66 110.689 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.596 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 10.9 t80 -70.26 -40.47 74.37 Favored 'General case' 0 CA--C 1.532 0.272 0 CA-C-N 116.296 -0.411 . . . . 0.88 110.911 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.567 HG23 ' O ' ' A' ' 138' ' ' TYR . 82.1 t -61.71 -49.15 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.321 0 CA-C-O 121.277 0.56 . . . . 0.7 110.511 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -68.96 -6.64 28.9 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.972 -0.558 . . . . 1.5 112.088 -179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.407 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 1.5 tmm? -103.98 -41.1 5.96 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.792 0.33 . . . . 0.89 111.184 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.404 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -85.17 -44.14 13.2 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.902 0.382 . . . . 1.47 111.886 -178.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 7.1 m -83.28 -30.82 27.29 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.045 -0.525 . . . . 1.07 111.58 -178.361 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.492 0 CA-C-N 116.238 -0.437 . . . . 1.33 110.698 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.554 ' O ' ' HB3' ' B' ' 5' ' ' CYS . 45.4 tpp . . . . . 0 N--CA 1.477 0.884 0 CA-C-O 120.846 0.355 . . . . 2.55 110.623 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.457 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -86.74 -71.11 0.57 Allowed 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 120.812 0.339 . . . . 1.88 111.28 -178.037 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.722 ' SG ' HD21 ' A' ' 32' ' ' LEU . 91.4 m -61.4 -28.93 69.6 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.387 -0.369 . . . . 0.64 110.592 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.823 HD11 ' HB2' ' A' ' 75' ' ' LYS . 8.5 tp -75.84 -36.32 59.67 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.415 -0.357 . . . . 1.25 110.347 178.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.695 ' SG ' HG21 ' A' ' 91' ' ' VAL . 7.8 p -65.54 -23.35 66.85 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.544 -0.91 . . . . 0.61 108.544 178.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.774 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -70.81 -39.35 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.773 0 N-CA-C 108.301 -1.0 . . . . 0.62 108.301 176.574 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.447 HG23 ' O ' ' B' ' 3' ' ' CYS . 11.1 t -68.69 -34.44 64.95 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.187 0 N-CA-C 108.77 -0.826 . . . . 0.57 108.77 178.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.404 HG23 ' HD2' ' A' ' 75' ' ' LYS . 3.1 m -71.27 -40.34 70.99 Favored 'General case' 0 CA--C 1.529 0.173 0 CA-C-N 116.095 -0.502 . . . . 0.63 109.776 177.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 99.2 m -64.33 -36.91 85.65 Favored 'General case' 0 CA--C 1.517 -0.322 0 CA-C-N 115.939 -0.573 . . . . 0.83 109.504 178.684 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.434 ' HE3' ' HB3' ' A' ' 11' ' ' GLU . 4.5 tmtt? -69.8 -37.17 76.2 Favored 'General case' 0 N--CA 1.442 -0.857 0 N-CA-C 109.447 -0.575 . . . . 2.03 109.447 178.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 9.3 tttt -66.35 -45.93 78.5 Favored 'General case' 0 N--CA 1.464 0.262 0 N-CA-C 109.345 -0.613 . . . . 1.32 109.345 178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.596 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 80.3 t80 -64.35 -36.55 84.49 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.274 -0.875 . . . . 1.21 109.929 179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.798 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 12.8 ttp85 -82.97 -10.27 58.87 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.026 -0.534 . . . . 3.1 111.15 -179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -96.35 -21.62 17.68 Favored 'General case' 0 C--N 1.323 -0.551 0 N-CA-C 109.204 -0.665 . . . . 1.47 109.204 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -73.7 -26.81 60.9 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.307 -0.861 . . . . 1.41 110.428 -179.565 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.3 -33.24 75.5 Favored 'General case' 0 C--O 1.238 0.472 0 N-CA-C 109.18 -0.674 . . . . 2.65 109.18 178.478 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -75.98 76.43 2.86 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 114.955 -1.02 . . . . 4.01 109.877 179.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -147.99 -62.85 0.26 Allowed 'General case' 0 C--N 1.314 -0.94 0 CA-C-O 120.939 0.4 . . . . 3.44 110.132 -179.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.954 0 CA-C-O 118.909 -0.567 . . . . 4.48 109.931 179.602 . . . . . . . . 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 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.448 HD23 ' CD1' ' A' ' 9' ' ' ILE . 54.2 tp . . . . . 0 N--CA 1.471 0.615 0 CA-C-O 120.384 0.135 . . . . 1.71 110.65 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.69 129.02 39.97 Favored 'General case' 0 N--CA 1.45 -0.448 0 O-C-N 123.508 0.505 . . . . 1.25 110.115 178.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -57.99 -34.65 70.21 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.473 -0.331 . . . . 1.97 111.565 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.459 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 24.5 mp0 -62.42 -43.41 98.89 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.255 -0.43 . . . . 1.98 110.456 179.522 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -57.67 -51.73 68.34 Favored 'General case' 0 CA--C 1.517 -0.315 0 N-CA-C 109.25 -0.648 . . . . 1.62 109.25 178.615 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.448 ' CD1' HD23 ' A' ' 4' ' ' LEU . 48.9 mm -52.1 -42.46 35.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.167 -0.924 . . . . 1.13 110.308 178.038 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -62.85 -37.21 85.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.678 179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.459 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 24.2 mt-10 -72.25 -41.55 66.66 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.257 -0.429 . . . . 1.57 110.178 179.328 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -61.5 -31.79 71.79 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.223 -0.444 . . . . 1.85 109.927 178.056 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 31.6 ttpt -58.73 -39.84 82.03 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-N 115.984 -0.553 . . . . 1.5 109.671 177.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -67.6 -36.77 81.5 Favored 'General case' 0 CA--C 1.531 0.221 0 N-CA-C 109.612 -0.514 . . . . 1.64 109.612 178.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -66.77 -47.12 73.17 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 115.954 -0.566 . . . . 0.51 110.191 179.207 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -54.75 -45.17 74.13 Favored 'General case' 0 CA--C 1.521 -0.142 0 CA-C-O 121.003 0.43 . . . . 1.23 110.083 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -66.21 -17.18 64.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.386 -0.825 . . . . 0.77 110.955 179.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.0 tp -87.77 -47.81 8.33 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.179 -0.464 . . . . 1.43 110.271 179.483 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.763 ' CE2' HD12 ' B' ' 6' ' ' ILE . 43.9 m-85 -71.98 -40.38 68.63 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-O 120.66 0.267 . . . . 0.56 111.294 -179.496 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . 0.41 ' HA ' ' OE2' ' A' ' 31' ' ' GLU . 12.5 t70 -78.74 138.0 38.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.954 0.407 . . . . 0.54 111.258 -179.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 23.8 mmtm -141.29 25.76 2.03 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.944 -0.571 . . . . 0.73 111.214 179.271 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.0 p30 -127.73 -15.53 4.92 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.797 -0.361 . . . . 0.57 110.626 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 86.42 12.88 69.1 Favored Glycine 0 N--CA 1.442 -0.962 0 C-N-CA 120.581 -0.819 . . . . 0.59 112.733 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.421 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -88.84 -33.43 17.38 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 117.175 0.487 . . . . 0.58 110.636 179.313 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 101.02 -7.14 56.98 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.282 -0.961 . . . . 0.74 113.432 178.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.421 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 2.6 m -106.87 148.09 28.97 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.355 0.598 . . . . 0.47 110.801 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.529 HG23 HD13 ' A' ' 32' ' ' LEU . 1.6 mt -84.13 119.23 32.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 CA-C-N 115.225 -0.898 . . . . 0.41 111.076 -179.779 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.9 p -108.44 -177.59 3.36 Favored 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.235 -0.654 . . . . 0.41 109.235 177.219 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 25.5 m -82.21 -37.68 25.67 Favored 'General case' 0 C--N 1.312 -1.063 0 CA-C-O 121.353 0.597 . . . . 0.6 110.355 -179.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.0 tttp -65.96 -32.32 73.75 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.303 -0.862 . . . . 2.22 111.839 -179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.583 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.3 mt-10 -72.63 -54.09 10.04 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-O 120.834 0.35 . . . . 0.42 111.29 -178.017 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.719 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.8 mp -64.94 -35.11 80.1 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.716 -0.476 . . . . 0.5 109.716 -179.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.42 -40.07 93.76 Favored Glycine 0 C--N 1.337 0.605 0 N-CA-C 110.967 -0.853 . . . . 0.5 110.967 178.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 71.8 m -58.67 -49.96 75.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.143 -0.528 . . . . 0.6 110.953 178.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.413 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 21.3 t -63.93 -37.82 80.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 CA-C-O 121.184 0.516 . . . . 0.63 110.406 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.48 ' HA ' HD12 ' A' ' 39' ' ' LEU . 11.1 ttm -69.22 -14.41 62.95 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 115.667 -0.697 . . . . 1.07 110.904 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.4 ttp180 -84.94 -41.57 15.79 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.725 0.774 . . . . 1.82 109.071 179.754 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.98 -10.98 60.49 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.368 -0.833 . . . . 0.8 110.796 179.519 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.48 HD12 ' HA ' ' A' ' 36' ' ' MET . 62.4 mt -81.03 -10.76 59.65 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.789 -0.641 . . . . 0.86 110.432 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 98.21 22.86 13.89 Favored Glycine 0 N--CA 1.447 -0.626 0 N-CA-C 111.057 -0.817 . . . . 0.89 111.057 -179.142 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -121.2 158.29 28.37 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.918 0.39 . . . . 1.25 110.393 -179.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -137.93 82.63 25.17 Favored Pre-proline 0 C--N 1.32 -0.69 0 CA-C-N 115.794 -0.639 . . . . 1.37 109.585 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.425 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 44.2 Cg_endo -87.98 149.02 6.97 Favored 'Trans proline' 0 N--CA 1.452 -0.932 0 C-N-CA 122.683 2.255 . . . . 0.74 112.669 -178.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.548 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -105.52 -176.11 2.98 Favored 'General case' 0 C--N 1.316 -0.878 0 CA-C-N 116.105 -0.498 . . . . 1.04 110.633 178.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -47.86 -31.49 5.11 Favored 'General case' 0 CA--C 1.54 0.585 0 O-C-N 124.097 0.873 . . . . 2.18 113.146 -179.676 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.89 -45.3 51.64 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.294 0.569 . . . . 0.63 111.109 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.548 ' CD ' ' H ' ' A' ' 44' ' ' THR . 3.1 mp0 -75.5 -42.27 53.26 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.763 -0.653 . . . . 1.57 110.438 -179.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.416 ' O ' HG12 ' A' ' 52' ' ' ILE . 32.1 mt -59.07 -25.08 63.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.353 -0.839 . . . . 0.64 110.807 179.198 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -89.48 -33.81 16.65 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.762 -0.458 . . . . 1.26 109.762 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -57.19 -44.48 83.67 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-N 115.591 -0.731 . . . . 1.38 110.702 179.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.443 ' SD ' ' HG3' ' B' ' 1' ' ' MET . 5.9 mmt -60.66 -44.77 96.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.941 -0.572 . . . . 1.38 110.512 179.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.416 HG12 ' O ' ' A' ' 48' ' ' LEU . 42.7 mm -68.19 -46.11 81.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 115.858 -0.61 . . . . 0.48 111.46 179.182 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.8 t30 -56.44 -33.19 65.63 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.394 0.678 . . . . 1.4 112.735 -178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' OE1' ' HA ' ' B' ' 1' ' ' MET . 6.8 tm-20 -63.03 -31.66 72.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.996 0.427 . . . . 2.84 110.202 179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.7 t -92.24 -42.46 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.002 -0.544 . . . . 0.82 110.965 179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.493 ' HA ' ' CD ' ' A' ' 67' ' ' GLU . 4.5 t70 -64.47 126.85 29.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.217 -0.901 . . . . 0.55 112.64 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.41 -7.8 2.24 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.449 -0.796 . . . . 0.68 110.133 179.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -86.78 -9.85 54.91 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.984 -0.553 . . . . 0.74 110.478 179.482 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 75.9 42.49 25.13 Favored Glycine 0 C--N 1.333 0.381 0 CA-C-N 115.991 -0.549 . . . . 0.9 113.325 178.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -121.35 -23.47 5.69 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.91 0.386 . . . . 0.6 110.429 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 77.4 48.98 7.67 Favored Glycine 0 CA--C 1.522 0.506 0 C-N-CA 121.145 -0.55 . . . . 0.52 112.819 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 24.1 m -161.49 132.07 5.1 Favored 'General case' 0 N--CA 1.468 0.459 0 C-N-CA 122.639 0.376 . . . . 0.57 110.804 179.54 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.486 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 3.5 mt -70.97 100.15 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.452 0 N-CA-C 109.002 -0.74 . . . . 0.46 109.002 178.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -107.0 -178.39 3.64 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.896 0.379 . . . . 0.52 111.997 -178.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.2 t80 -64.95 -47.06 74.81 Favored Pre-proline 0 CA--C 1.538 0.518 0 CA-C-N 115.625 -0.716 . . . . 1.15 112.721 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 50.0 Cg_exo -54.93 -43.67 57.18 Favored 'Trans proline' 0 C--N 1.359 1.117 0 C-N-CA 122.106 1.871 . . . . 0.63 112.126 179.287 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.533 ' O ' ' HB3' ' A' ' 71' ' ' MET . 29.9 mt-10 -75.28 -28.86 59.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.85 -0.614 . . . . 0.51 110.846 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 82.7 t80 -62.31 -45.58 92.6 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 109.315 -0.624 . . . . 1.44 109.315 179.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 28.6 mt -63.99 -46.24 85.46 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.784 -0.644 . . . . 0.89 110.412 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 6.5 m -62.99 -47.24 84.01 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 121.108 0.48 . . . . 0.74 110.445 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.564 ' HG2' ' N ' ' A' ' 72' ' ' MET . 0.0 OUTLIER -61.14 -38.68 87.27 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.44 -0.8 . . . . 0.71 110.885 179.161 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.564 ' N ' ' HG2' ' A' ' 71' ' ' MET . 5.1 ttm -68.32 -43.08 78.38 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.899 -0.591 . . . . 1.69 110.893 -178.778 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.27 -30.67 71.77 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.052 0.453 . . . . 0.63 110.176 179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.467 ' HD2' ' OE1' ' A' ' 84' ' ' GLU . 6.7 ttm180 -67.58 -24.47 65.51 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.835 -0.621 . . . . 1.45 110.948 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -107.0 -20.58 13.28 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 112.111 0.412 . . . . 0.86 112.111 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 21.8 ttm -63.64 -56.66 14.08 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-O 121.3 0.571 . . . . 1.68 110.637 179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -107.67 38.01 2.27 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.395 -0.82 . . . . 1.95 110.328 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -62.07 111.01 1.76 Allowed 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.122 -0.944 . . . . 1.41 110.581 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -148.83 5.8 0.69 Allowed 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.883 0.849 . . . . 1.45 110.098 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.4 33.61 3.56 Favored 'General case' 0 CA--C 1.509 -0.603 0 N-CA-C 106.381 -1.711 . . . . 1.78 106.381 179.573 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.453 ' CB ' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -43.01 119.93 1.65 Allowed 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 113.513 -1.676 . . . . 1.1 113.113 -178.06 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -108.9 -50.56 2.99 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 114.984 -1.007 . . . . 1.86 109.713 178.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.8 mm-40 -115.54 -24.86 8.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.722 -0.672 . . . . 2.7 110.706 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.503 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 0.3 OUTLIER -51.42 -47.68 62.92 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.363 -0.835 . . . . 1.27 111.349 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.611 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 93.9 mt -52.63 -51.31 35.96 Favored 'Isoleucine or valine' 0 C--O 1.225 -0.187 0 CA-C-O 120.886 0.374 . . . . 1.5 110.211 178.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.1 tpt180 -66.59 -45.93 77.64 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.097 -0.501 . . . . 2.57 110.79 -179.152 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.662 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 1.6 tt0 -53.9 -61.04 2.56 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.111 0.564 . . . . 1.47 111.924 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.19 -25.9 68.28 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.637 0.256 . . . . 0.41 111.27 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.611 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -73.71 -40.69 63.41 Favored 'General case' 0 CA--C 1.516 -0.362 0 CA-C-O 121.178 0.513 . . . . 0.75 109.722 -179.395 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 -65.21 -34.36 78.18 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.475 -0.784 . . . . 2.35 111.235 179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.766 HG21 ' SG ' ' B' ' 5' ' ' CYS . 93.1 t -75.42 -36.77 36.57 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 CA-C-N 116.042 -0.526 . . . . 0.47 111.645 -179.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 14.8 m-30 -81.04 -28.97 35.18 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-O 121.086 0.47 . . . . 0.47 110.373 178.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -99.43 95.36 6.97 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.966 -0.561 . . . . 0.8 110.95 -179.122 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.524 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 35.1 tttm -84.2 -22.1 31.02 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 112.103 0.409 . . . . 1.7 112.103 -179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 23.1 p30 -84.51 -22.15 30.3 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 120.37 -0.532 . . . . 0.67 111.998 -179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 77.33 27.27 59.94 Favored Glycine 0 CA--C 1.521 0.438 0 C-N-CA 121.423 -0.418 . . . . 0.72 113.311 179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.5 p-10 -93.33 -13.42 28.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 122.547 -0.384 . . . . 0.72 111.026 179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 83.36 31.67 27.3 Favored Glycine 0 N--CA 1.45 -0.385 0 CA-C-N 115.798 -0.637 . . . . 0.58 112.857 179.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.453 ' CE2' ' HB3' ' A' ' 137' ' ' ASN . 5.0 m-85 -145.21 116.91 8.15 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 110.094 -0.335 . . . . 1.57 110.094 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 21.1 mt -90.41 123.41 42.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 N-CA-C 109.932 -0.396 . . . . 0.69 109.932 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.555 ' HB3' ' HG2' ' A' ' 135' ' ' GLN . 0.0 OUTLIER -135.27 -164.65 1.56 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 122.234 -0.291 . . . . 1.14 111.072 -178.893 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -80.62 17.7 1.08 Allowed 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 122.309 1.052 . . . . 1.3 109.584 178.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.458 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -89.03 -83.33 0.23 Allowed 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 113.688 -1.596 . . . . 0.93 111.061 -179.646 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.538 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.5 mp0 -75.03 -28.7 60.57 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.104 -0.498 . . . . 0.83 112.275 -179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.2 tp -62.74 -36.62 83.63 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.456 0.646 . . . . 0.63 110.498 -178.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.8 ttm180 -60.75 -31.74 71.05 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.189 -0.914 . . . . 1.18 110.445 179.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -79.78 -54.82 5.48 Favored 'General case' 0 N--CA 1.453 -0.288 0 CA-C-N 115.92 -0.582 . . . . 0.83 110.321 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 104' ' ' GLU . 30.4 t -49.81 -48.31 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.083 0.553 . . . . 0.53 111.967 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.55 -49.94 74.73 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-O 120.772 0.32 . . . . 0.86 111.478 -179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.6 m -70.16 -29.81 66.8 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.989 0.423 . . . . 0.67 111.285 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -73.22 -44.55 59.42 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.092 -0.503 . . . . 0.88 110.909 -179.45 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 25.3 mt -64.1 -35.65 81.45 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.27 -0.423 . . . . 0.93 110.29 179.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.11 13.1 14.07 Favored Glycine 0 CA--C 1.505 -0.588 0 C-N-CA 120.715 -0.755 . . . . 0.89 112.762 178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.56 ' HA ' ' OE1' ' A' ' 114' ' ' GLU . 0.5 OUTLIER -69.79 146.45 51.4 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-O 121.45 0.643 . . . . 1.61 110.828 -179.619 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.61 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 0.0 OUTLIER -81.97 56.11 3.01 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.346 -0.843 . . . . 1.18 110.681 -178.705 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 3.7 mp -123.49 126.9 47.57 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.938 -0.574 . . . . 1.27 111.429 -178.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 121' ' ' VAL . 5.8 p -90.2 179.32 5.94 Favored 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 115.362 -0.835 . . . . 1.04 110.793 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 18.6 t70 -61.84 -42.23 98.78 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.315 0.578 . . . . 1.38 110.147 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -66.14 -25.97 67.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.335 -0.848 . . . . 2.33 109.741 178.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -81.7 -40.29 23.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.38 -0.827 . . . . 1.86 109.236 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 117' ' ' THR . 55.2 t -59.09 -42.53 86.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 115.93 -0.577 . . . . 0.76 110.188 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -70.74 -29.83 66.19 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.96 110.762 179.551 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -70.73 -49.08 50.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.61 -0.723 . . . . 1.2 110.264 -179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.792 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 13.4 ttt -64.23 -38.8 92.36 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 115.874 -0.603 . . . . 0.76 110.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.411 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.3 mm -51.43 -27.99 7.67 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 112.113 0.412 . . . . 0.92 112.113 -179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 25.2 mtm105 -87.65 23.87 1.85 Allowed 'General case' 0 CA--C 1.535 0.387 0 N-CA-C 112.327 0.491 . . . . 0.94 112.327 -178.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.94 -40.13 12.56 Favored 'General case' 0 N--CA 1.463 0.211 0 N-CA-C 109.599 -0.519 . . . . 2.04 109.599 178.618 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.54 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -106.66 -15.34 14.79 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.961 -0.563 . . . . 0.96 110.772 178.504 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -75.42 89.72 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.578 -0.737 . . . . 0.87 110.486 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 41.5 mm -84.24 -36.58 12.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.652 0 CA-C-N 115.365 -0.834 . . . . 1.01 110.827 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 16.9 p30 -63.75 -28.61 70.0 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-N 116.275 -0.42 . . . . 1.02 111.44 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.01 33.58 29.16 Favored Glycine 0 N--CA 1.445 -0.723 0 N-CA-C 111.458 -0.657 . . . . 0.94 111.458 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -98.15 -22.8 16.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.594 0.235 . . . . 0.95 110.497 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 94.9 12.13 55.78 Favored Glycine 0 CA--C 1.517 0.186 0 C-N-CA 120.949 -0.643 . . . . 0.84 113.275 179.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.555 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 26.4 mt-30 -136.03 113.04 10.37 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-O 120.793 0.33 . . . . 1.26 110.176 179.664 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 87.7 t -78.27 113.35 17.4 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 116.112 -0.495 . . . . 0.69 109.719 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.453 ' HB3' ' CE2' ' A' ' 99' ' ' TYR . 36.5 p30 -92.93 -169.87 2.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.023 0.44 . . . . 0.97 111.1 179.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.479 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -57.13 -55.01 40.28 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.782 -0.644 . . . . 1.35 111.73 -178.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.406 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 0.4 OUTLIER -58.85 -49.19 78.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 2.6 111.663 -177.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -58.43 -43.61 88.82 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 116.097 -0.501 . . . . 0.66 111.102 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.502 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 68.3 t80 -68.05 -42.66 80.16 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.295 -0.411 . . . . 0.88 111.491 -179.501 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 138' ' ' TYR . 61.3 t -59.03 -47.25 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.7 110.805 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.406 ' HG3' ' O ' ' A' ' 139' ' ' GLU . 42.3 mt-30 -69.19 -8.91 50.03 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.368 0.507 . . . . 1.5 112.368 -179.319 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.54 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.6 tmm? -103.47 -37.75 7.46 Favored 'General case' 0 C--N 1.32 -0.704 0 C-N-CA 120.367 -0.533 . . . . 0.89 111.858 -178.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.631 ' SD ' HG22 ' B' ' 8' ' ' THR . 42.4 ttp -93.77 -45.22 7.77 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 120.763 0.316 . . . . 1.47 111.785 -178.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 22.9 m -81.37 -17.3 49.53 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.076 0.465 . . . . 1.07 112.021 -178.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.595 0 CA-C-N 116.583 -0.28 . . . . 1.33 110.711 179.494 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.501 ' HA ' ' OE1' ' A' ' 54' ' ' GLU . 21.8 mtp . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.432 0.634 . . . . 2.55 110.112 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' B' ' 2' ' ' ASP . 0.0 OUTLIER -61.04 -63.17 1.39 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 114.948 -1.024 . . . . 1.88 111.034 179.798 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.73 ' HA ' ' CZ ' ' A' ' 19' ' ' PHE . 84.9 m -59.83 -31.02 69.35 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.512 0.672 . . . . 0.64 110.242 179.434 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.662 ' HB3' ' OE2' ' A' ' 87' ' ' GLU . 3.3 mm? -67.51 -52.55 37.65 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.638 -0.71 . . . . 1.25 111.508 -179.76 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.766 ' SG ' HG21 ' A' ' 91' ' ' VAL . 15.3 p -61.28 -21.53 64.01 Favored 'General case' 0 C--O 1.224 -0.273 0 N-CA-C 109.725 -0.472 . . . . 0.61 109.725 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.763 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -64.97 -46.93 90.12 Favored 'Isoleucine or valine' 0 N--CA 1.447 -0.586 0 N-CA-C 107.595 -1.261 . . . . 0.62 107.595 176.391 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . . . . . . . . . 2.6 t -62.61 -42.46 96.06 Favored 'Isoleucine or valine' 0 C--N 1.342 0.26 0 N-CA-C 109.604 -0.517 . . . . 0.57 109.604 178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.631 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -64.8 -41.9 95.44 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.63 110.674 179.21 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 51.8 m -61.39 -45.4 94.52 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.019 0.438 . . . . 0.83 109.926 177.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.409 ' HE3' ' HB3' ' A' ' 11' ' ' GLU . 12.6 mmtt -65.14 -36.98 85.95 Favored 'General case' 0 CA--C 1.512 -0.508 0 CA-C-N 116.193 -0.458 . . . . 2.03 110.135 179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 20.3 tttt -66.89 -45.54 77.69 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 116.247 -0.433 . . . . 1.32 109.861 178.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.502 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 91.6 t80 -63.31 -40.61 97.82 Favored 'General case' 0 N--CA 1.465 0.312 0 N-CA-C 110.075 -0.343 . . . . 1.21 110.075 179.452 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.792 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -68.11 -39.58 82.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.316 -0.402 . . . . 3.1 110.346 178.017 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -64.78 -35.29 80.6 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.097 0.475 . . . . 1.47 110.001 178.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -70.5 -23.93 62.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.467 -0.788 . . . . 1.41 111.755 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.05 -40.26 94.49 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-O 120.744 0.307 . . . . 2.65 110.781 179.551 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.65 84.12 3.3 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.556 -0.905 . . . . 4.01 108.556 178.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -146.6 -66.83 0.28 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.077 -0.51 . . . . 3.44 112.0 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.246 0.902 0 CA-C-O 118.826 -0.607 . . . . 4.48 110.717 -179.185 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.451 ' HG ' ' N ' ' A' ' 5' ' ' THR . 41.2 tp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 109.514 -0.551 . . . . 1.71 109.514 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.451 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -56.48 126.92 28.64 Favored 'General case' 0 N--CA 1.452 -0.331 0 O-C-N 123.42 0.45 . . . . 1.25 111.501 -179.376 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -61.12 -24.61 66.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.903 -0.59 . . . . 1.97 111.394 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -60.48 -44.27 96.09 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.25 -0.648 . . . . 1.98 109.25 177.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -63.55 -45.84 88.69 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.196 -0.456 . . . . 1.62 109.967 178.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.0 mm -55.63 -36.84 43.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 121.195 0.521 . . . . 1.13 109.833 177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -67.89 -35.16 78.02 Favored 'General case' 0 C--O 1.238 0.487 0 CA-C-N 115.676 -0.693 . . . . 0.74 110.124 178.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -70.89 -47.63 58.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.119 -0.491 . . . . 1.57 110.311 178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -56.18 -29.34 60.72 Favored 'General case' 0 C--O 1.236 0.378 0 CA-C-N 116.513 -0.312 . . . . 1.85 111.702 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 1.1 ttpm? -53.01 -34.29 55.65 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.086 -0.506 . . . . 1.5 110.675 176.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -39.96 86.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.595 -0.73 . . . . 1.64 109.729 179.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.79 -47.63 80.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.925 -0.579 . . . . 0.51 110.088 179.679 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 13.1 m-85 -52.24 -46.22 65.65 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 123.276 0.36 . . . . 1.23 110.693 177.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.8 m -73.6 -12.04 60.62 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.126 0.489 . . . . 0.77 110.768 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.0 tp -88.07 -51.56 5.73 Favored 'General case' 0 N--CA 1.449 -0.476 0 N-CA-C 109.8 -0.444 . . . . 1.43 109.8 179.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.711 ' CE2' HD12 ' B' ' 6' ' ' ILE . 41.1 m-85 -69.36 -40.66 77.35 Favored 'General case' 0 N--CA 1.448 -0.532 0 CA-C-N 116.582 -0.281 . . . . 0.56 110.79 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -74.85 137.53 41.89 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.892 0.377 . . . . 0.54 110.808 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -142.22 21.05 2.08 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.066 -0.515 . . . . 0.73 110.667 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.6 p30 -127.55 -16.0 4.91 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-N 116.433 -0.349 . . . . 0.57 111.341 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.18 21.11 57.75 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.862 -0.685 . . . . 0.59 112.211 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -94.05 -26.13 16.9 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 121.026 0.441 . . . . 0.58 110.308 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.77 -5.17 76.41 Favored Glycine 0 C--N 1.33 0.233 0 C-N-CA 120.985 -0.626 . . . . 0.74 113.559 178.061 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 m -110.44 154.74 23.18 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.174 0.512 . . . . 0.47 111.307 -178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.605 HG21 HD12 ' A' ' 63' ' ' ILE . 1.0 OUTLIER -90.32 132.63 34.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.588 0 CA-C-N 115.359 -0.837 . . . . 0.41 111.07 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.9 p -123.04 179.66 4.59 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.203 -0.666 . . . . 0.41 109.203 177.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -81.73 -32.63 31.49 Favored 'General case' 0 C--N 1.317 -0.825 0 CA-C-O 121.496 0.665 . . . . 0.6 110.105 -178.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -76.39 -32.95 58.86 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-N 115.645 -0.707 . . . . 2.22 112.245 -178.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.604 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.3 mt-10 -71.53 -50.5 30.69 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 121.938 -0.476 . . . . 0.42 111.283 -177.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.599 HD21 ' SG ' ' B' ' 3' ' ' CYS . 6.8 mp -65.79 -31.12 71.92 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.133 0.492 . . . . 0.5 109.868 -179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.41 -34.23 88.71 Favored Glycine 0 N--CA 1.446 -0.67 0 N-CA-C 111.307 -0.717 . . . . 0.5 111.307 178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 24.8 m -62.36 -43.52 98.62 Favored 'General case' 0 N--CA 1.448 -0.558 0 CA-C-N 115.84 -0.18 . . . . 0.6 111.103 178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 18.7 t -65.55 -38.4 82.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 CA-C-O 121.262 0.554 . . . . 0.63 109.754 179.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 52.2 mtm -69.12 -9.88 54.94 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 115.529 -0.76 . . . . 1.07 111.565 179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 8.4 ttp180 -86.74 -40.85 14.63 Favored 'General case' 0 N--CA 1.45 -0.435 0 N-CA-C 109.06 -0.719 . . . . 1.82 109.06 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.1 m -72.71 -12.35 60.99 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.241 -0.89 . . . . 0.8 111.64 -179.32 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.1 mt -85.15 6.45 25.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.087 0.47 . . . . 0.86 110.108 178.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.37 41.0 26.84 Favored Glycine 0 N--CA 1.444 -0.832 0 C-N-CA 120.848 -0.691 . . . . 0.89 111.486 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -137.74 156.85 47.54 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.615 -0.513 . . . . 1.25 109.615 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.7 t-20 -139.13 85.06 16.12 Favored Pre-proline 0 C--N 1.322 -0.616 0 CA-C-O 120.939 0.4 . . . . 1.37 110.278 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.1 Cg_endo -89.94 142.51 3.92 Favored 'Trans proline' 0 N--CA 1.449 -1.129 0 C-N-CA 122.901 2.401 . . . . 0.74 112.214 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.456 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 0.6 OUTLIER -95.99 -177.23 3.94 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 116.116 -0.493 . . . . 1.04 109.874 178.011 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -49.2 -30.47 6.99 Favored 'General case' 0 C--N 1.318 -0.768 0 N-CA-C 114.007 1.114 . . . . 2.18 114.007 -179.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -70.04 -44.5 69.08 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.295 0.569 . . . . 0.63 110.524 -179.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 44' ' ' THR . 2.8 mp0 -76.19 -38.32 56.69 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.313 -0.858 . . . . 1.57 109.623 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 52' ' ' ILE . 40.5 mt -56.72 -34.0 67.06 Favored 'General case' 0 C--O 1.224 -0.273 0 CA-C-N 116.062 -0.517 . . . . 0.64 111.222 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 5.6 tp-100 -88.99 -29.8 19.23 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.75 -0.463 . . . . 1.26 109.75 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -58.9 -43.01 90.92 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 108.831 -0.803 . . . . 1.38 108.831 178.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.637 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 18.7 mmt -58.25 -51.34 70.17 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.014 -0.993 . . . . 1.38 110.606 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 48' ' ' LEU . 40.3 mm -60.42 -35.28 61.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 CA-C-N 115.71 -0.677 . . . . 0.48 111.659 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -53.6 -36.55 62.09 Favored 'General case' 0 N--CA 1.468 0.461 0 N-CA-C 112.672 0.619 . . . . 1.4 112.672 179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.59 -30.32 69.74 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.364 0.602 . . . . 2.84 110.524 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 48.2 t -95.73 -49.52 12.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 CA-C-N 115.824 -0.625 . . . . 0.82 110.874 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.65 124.54 20.05 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.314 -0.857 . . . . 0.55 111.668 -178.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -131.42 -8.36 3.72 Favored 'General case' 0 C--N 1.318 -0.803 0 CA-C-N 115.578 -0.737 . . . . 0.68 110.187 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.45 -19.97 24.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.817 -0.628 . . . . 0.74 110.751 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 85.89 53.08 3.11 Favored Glycine 0 N--CA 1.446 -0.648 0 C-N-CA 120.559 -0.829 . . . . 0.9 111.779 179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -129.98 -36.77 1.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 121.031 -0.268 . . . . 0.6 110.813 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 95.53 39.66 4.38 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.38 -0.914 . . . . 0.52 112.4 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 19.4 m -154.95 133.82 12.19 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.765 0.317 . . . . 0.57 110.881 179.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.605 HD12 HG21 ' A' ' 27' ' ' ILE . 61.7 mt -75.72 98.37 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.207 0 N-CA-C 108.738 -0.838 . . . . 0.46 108.738 178.505 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.492 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.5 p30 -103.24 178.93 4.42 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.597 -0.729 . . . . 0.52 112.151 -178.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.485 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 68.1 t80 -67.19 -48.89 47.03 Favored Pre-proline 0 CA--C 1.54 0.591 0 CA-C-N 115.654 -0.703 . . . . 1.15 112.746 -178.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.485 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 52.2 Cg_exo -52.76 -54.01 5.86 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 121.848 1.699 . . . . 0.63 112.55 179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 77.6 mt-10 -65.14 -27.78 68.97 Favored 'General case' 0 C--O 1.22 -0.47 0 C-N-CA 121.054 -0.258 . . . . 0.51 110.845 179.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.492 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 4.2 t80 -61.2 -34.5 75.18 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 123.72 0.638 . . . . 1.44 109.947 -178.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.5 mt -66.37 -55.55 15.31 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.374 -0.375 . . . . 0.89 110.472 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -66.02 -39.23 90.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.74 110.728 -179.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 1.014 ' HG2' HD21 ' B' ' 4' ' ' LEU . 6.2 ttp -58.05 -51.5 69.44 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.102 -0.954 . . . . 0.71 111.005 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.468 ' SD ' HG13 ' B' ' 7' ' ' VAL . 2.7 tmm? -67.14 -38.76 86.09 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.32 -0.855 . . . . 1.69 110.844 -178.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -59.46 -35.24 73.69 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.73 0.3 . . . . 0.63 111.76 179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.8 ttm180 -72.19 -34.39 68.37 Favored 'General case' 0 C--O 1.225 -0.213 0 CA-C-N 116.487 -0.324 . . . . 1.45 111.31 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.906 ' HE3' HD22 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -102.58 11.86 37.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.86 111.693 -178.722 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.419 ' SD ' HD13 ' A' ' 4' ' ' LEU . 16.9 ttm -83.28 -58.6 2.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.502 0.667 . . . . 1.68 109.871 179.243 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 43.9 mtmt -126.93 48.43 2.19 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.608 -0.724 . . . . 1.95 109.284 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 10.3 t0 -53.37 123.45 12.01 Favored 'General case' 0 CA--C 1.514 -0.438 0 CA-C-N 114.913 -1.039 . . . . 1.41 111.002 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.32 25.76 1.86 Allowed 'General case' 0 C--N 1.312 -1.035 0 CA-C-N 114.849 -1.069 . . . . 1.45 108.387 179.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -137.27 25.76 2.93 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 113.885 -1.507 . . . . 1.78 107.275 179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 6.6 m -35.1 104.09 0.03 OUTLIER 'General case' 0 C--O 1.234 0.242 0 CA-C-N 113.519 -1.673 . . . . 1.1 114.248 -177.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -126.91 -66.8 0.88 Allowed 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 114.909 -1.041 . . . . 1.86 109.462 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -94.44 -34.8 12.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.087 0.47 . . . . 2.7 110.163 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.701 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 1.2 pm0 -60.73 -42.58 97.61 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.313 -0.858 . . . . 1.27 111.184 -179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.64 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 0.3 OUTLIER -58.87 -39.55 77.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 N-CA-C 109.18 -0.674 . . . . 1.5 109.18 178.796 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.37 -43.57 55.92 Favored 'General case' 0 N--CA 1.447 -0.601 0 CA-C-N 115.768 -0.651 . . . . 2.57 109.985 179.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.527 ' OE2' ' HA ' ' B' ' 5' ' ' CYS . 0.1 OUTLIER -54.68 -54.53 40.54 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 116.184 -0.462 . . . . 1.47 111.449 179.081 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.76 -23.06 64.27 Favored 'General case' 0 N--CA 1.456 -0.156 0 CA-C-O 120.819 0.343 . . . . 0.41 110.918 -179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.64 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -77.14 -38.37 52.1 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.144 -0.687 . . . . 0.75 109.144 -179.431 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 58.7 mtp180 -72.07 -36.78 69.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.217 -0.447 . . . . 2.35 111.188 -179.464 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.744 HG21 ' SG ' ' B' ' 5' ' ' CYS . 91.4 t -69.94 -37.27 72.34 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.235 0 CA-C-N 116.375 -0.375 . . . . 0.47 110.201 -179.056 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 -79.39 -31.13 42.74 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.795 0.331 . . . . 0.47 111.358 179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -93.23 87.61 5.73 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.085 0.469 . . . . 0.8 110.559 -178.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -77.51 -24.01 50.11 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.92 -0.582 . . . . 1.7 111.928 -178.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.2 p30 -84.0 -20.2 33.22 Favored 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.262 -0.575 . . . . 0.67 110.773 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 72.48 29.45 65.91 Favored Glycine 0 CA--C 1.519 0.322 0 C-N-CA 121.099 -0.572 . . . . 0.72 113.09 179.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -93.3 -17.27 23.79 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 117.18 0.49 . . . . 0.72 110.964 179.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.61 3.96 59.44 Favored Glycine 0 N--CA 1.454 -0.125 0 C-N-CA 120.583 -0.818 . . . . 0.58 113.356 179.097 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -127.25 117.81 23.01 Favored 'General case' 0 C--N 1.322 -0.628 0 O-C-N 122.566 -0.373 . . . . 1.57 110.456 179.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 12.2 mt -95.71 139.07 19.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.805 -0.634 . . . . 0.69 110.975 -179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.494 ' C ' ' H ' ' A' ' 103' ' ' ALA . 1.3 p -151.62 -168.34 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.637 -0.505 . . . . 1.14 109.637 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.38 8.94 1.16 Allowed 'General case' 0 N--CA 1.47 0.563 0 CA-C-O 121.948 0.88 . . . . 1.3 110.43 178.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.494 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -76.74 -81.26 0.09 Allowed 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 113.828 -1.533 . . . . 0.93 110.292 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.401 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.6 OUTLIER -76.24 -27.19 56.65 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.635 -0.711 . . . . 0.83 112.187 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 35.4 tp -62.06 -39.76 93.48 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.466 0.65 . . . . 0.63 110.108 -178.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 37.4 ttm180 -59.19 -42.32 90.59 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.579 -0.737 . . . . 1.18 111.099 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.4 t60 -68.52 -42.7 78.15 Favored 'General case' 0 C--O 1.235 0.331 0 CA-C-N 116.377 -0.374 . . . . 0.83 111.223 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 104' ' ' GLU . 45.2 t -64.07 -37.19 79.19 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.181 0 CA-C-O 120.886 0.374 . . . . 0.53 110.091 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -41.78 93.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.784 -0.644 . . . . 0.86 109.914 178.374 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.8 m -72.81 -33.32 66.14 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.878 -0.601 . . . . 0.67 110.615 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.34 -44.41 75.36 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.974 -0.557 . . . . 0.88 110.518 -179.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.11 -27.79 64.87 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.31 -0.404 . . . . 0.93 110.551 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 80.78 35.6 24.64 Favored Glycine 0 N--CA 1.447 -0.625 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.238 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.02 164.76 21.21 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.697 0.284 . . . . 1.61 110.351 -179.772 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 2.6 mttp -83.76 58.96 4.91 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 121.019 0.438 . . . . 1.18 111.134 -178.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.633 HD11 ' HD2' ' B' ' 13' ' ' ARG . 5.8 mp -134.25 123.22 23.9 Favored 'General case' 0 CA--C 1.518 -0.261 0 CA-C-N 116.324 -0.398 . . . . 1.27 110.875 179.555 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.606 ' O ' HG23 ' A' ' 121' ' ' VAL . 2.7 p -96.13 -170.47 2.12 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.171 -0.468 . . . . 1.04 109.912 178.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -55.95 -49.03 74.66 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-O 120.917 0.389 . . . . 1.38 110.882 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -61.72 -35.17 77.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.733 -0.667 . . . . 2.33 111.516 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -71.81 -34.87 69.71 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.217 -0.447 . . . . 1.86 111.166 -178.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.606 HG23 ' O ' ' A' ' 117' ' ' THR . 59.3 t -65.32 -43.65 94.98 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-O 121.397 0.618 . . . . 0.76 109.789 178.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -70.26 -40.24 74.49 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.442 -0.799 . . . . 0.96 110.525 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.6 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 19.0 tp10 -63.15 -47.05 84.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.519 -0.764 . . . . 1.2 110.164 179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.756 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 17.4 ttt -66.98 -39.04 87.07 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.825 -0.625 . . . . 0.76 110.859 179.599 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.404 HD13 ' HA ' ' A' ' 125' ' ' ILE . 1.0 OUTLIER -53.52 -28.25 15.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 CA-C-O 121.071 0.463 . . . . 0.92 111.83 -179.597 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.6 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 22.4 mtm105 -84.55 13.45 5.57 Favored 'General case' 0 C--N 1.328 -0.349 0 N-CA-C 112.427 0.528 . . . . 0.94 112.427 -179.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -83.92 -41.46 17.36 Favored 'General case' 0 N--CA 1.451 -0.379 0 N-CA-C 108.808 -0.812 . . . . 2.04 108.808 178.119 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -99.51 -19.15 17.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.018 -0.537 . . . . 0.96 110.759 178.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.459 ' HA ' ' OE2' ' A' ' 140' ' ' GLU . 5.4 t70 -73.78 99.36 3.15 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 121.295 0.569 . . . . 0.87 110.583 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 38.7 mm -99.24 -25.15 4.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 115.696 -0.684 . . . . 1.01 111.498 -178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 5.3 p30 -76.14 -18.74 58.99 Favored 'General case' 0 N--CA 1.47 0.54 0 N-CA-C 111.78 0.289 . . . . 1.02 111.78 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 75.74 46.32 14.67 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.899 -0.667 . . . . 0.94 111.44 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -118.6 -30.65 5.09 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 120.611 0.243 . . . . 0.95 110.774 -179.185 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 105.59 -11.26 46.43 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.577 -0.82 . . . . 0.84 113.709 178.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -113.29 121.57 44.83 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 117.267 0.533 . . . . 1.26 110.236 179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 59.2 t -79.22 113.02 17.97 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.756 0 CA-C-N 116.148 -0.478 . . . . 0.69 110.238 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -95.4 174.52 6.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.451 -0.34 . . . . 0.97 110.586 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.491 ' O ' HG23 ' A' ' 142' ' ' VAL . 1.0 OUTLIER -49.67 -52.11 33.37 Favored 'General case' 0 N--CA 1.468 0.43 0 C-N-CA 122.786 0.435 . . . . 1.35 111.911 -178.794 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -55.24 -48.04 74.53 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.066 -0.516 . . . . 2.6 111.019 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.505 ' O ' ' HB2' ' A' ' 144' ' ' MET . 43.1 mt-10 -65.19 -36.42 84.12 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.968 -0.56 . . . . 0.66 111.178 -179.615 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.467 ' HE1' ' CE1' ' B' ' 12' ' ' TYR . 2.8 t80 -72.94 -43.12 62.73 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 121.12 -0.232 . . . . 0.88 110.636 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 138' ' ' TYR . 74.0 t -61.94 -50.55 79.65 Favored 'Isoleucine or valine' 0 C--O 1.235 0.326 0 CA-C-O 121.183 0.516 . . . . 0.7 110.46 179.364 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -62.21 -19.1 62.79 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.02 -0.991 . . . . 1.5 111.791 -179.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.505 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 1.0 OUTLIER -104.27 -21.7 13.48 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 112.107 0.41 . . . . 0.89 112.107 -178.864 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 44.0 mmm -88.61 -54.0 4.38 Favored 'General case' 0 C--N 1.327 -0.398 0 O-C-N 122.275 -0.266 . . . . 1.47 110.972 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 3.4 m -81.07 -41.73 22.14 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.993 0.425 . . . . 1.07 111.22 -179.671 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 116.334 -0.394 . . . . 1.33 111.134 -179.691 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.637 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.2 mpt? . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.185 -0.302 . . . . 2.55 110.185 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.491 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -28.56 -75.84 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 N-CA-C 115.026 1.491 . . . . 1.88 115.026 -179.766 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.599 ' SG ' HD21 ' A' ' 32' ' ' LEU . 72.6 m -63.14 -29.87 71.14 Favored 'General case' 0 C--N 1.322 -0.63 0 N-CA-C 112.398 0.518 . . . . 0.64 112.398 -178.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 1.014 HD21 ' HG2' ' A' ' 71' ' ' MET . 6.4 mt -76.94 -42.86 37.61 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 112.169 0.433 . . . . 1.25 112.169 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.744 ' SG ' HG21 ' A' ' 91' ' ' VAL . 31.6 p -63.08 -25.81 68.54 Favored 'General case' 0 C--O 1.219 -0.531 0 N-CA-C 108.353 -0.98 . . . . 0.61 108.353 178.601 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.711 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.9 OUTLIER -65.84 -42.18 91.65 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.518 0 N-CA-C 107.498 -1.297 . . . . 0.62 107.498 176.595 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.5 HG23 ' O ' ' B' ' 3' ' ' CYS . 41.9 t -63.45 -45.22 98.5 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 CA-C-N 115.539 -0.755 . . . . 0.57 109.832 177.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 1.3 m -67.53 -36.67 81.46 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.063 -0.517 . . . . 0.63 110.424 179.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.607 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.2 m -65.36 -34.95 79.52 Favored 'General case' 0 C--O 1.225 -0.217 0 N-CA-C 108.81 -0.811 . . . . 0.83 108.81 178.201 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.439 ' O ' ' HB2' ' B' ' 14' ' ' TYR . 0.0 OUTLIER -69.22 -35.19 75.92 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 115.801 -0.636 . . . . 2.03 109.59 178.598 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -68.44 -48.7 63.89 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.2 -0.667 . . . . 1.32 109.2 179.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.467 ' CE1' ' HE1' ' A' ' 141' ' ' PHE . 72.1 t80 -61.42 -41.75 97.66 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.358 -0.837 . . . . 1.21 108.868 177.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.756 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -70.4 -15.16 62.81 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.497 -0.774 . . . . 3.1 110.604 179.17 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.439 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 2.1 t80 -90.27 -23.57 21.16 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.775 -0.648 . . . . 1.47 109.435 179.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.423 ' NE2' ' HA ' ' B' ' 15' ' ' GLN . 0.5 OUTLIER -74.47 -22.15 59.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.827 -0.624 . . . . 1.41 110.347 -179.84 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.26 -35.54 81.35 Favored 'General case' 0 C--O 1.237 0.447 0 N-CA-C 108.384 -0.969 . . . . 2.65 108.384 177.421 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 16.6 tp10 -76.58 76.8 3.26 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 114.605 -1.179 . . . . 4.01 110.071 178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 35.7 t70 -161.53 -34.52 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 C-N-CA 120.462 -0.495 . . . . 3.44 112.194 -178.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 C--O 1.252 1.222 0 CA-C-O 118.722 -0.656 . . . . 4.48 110.783 -179.854 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 tp . . . . . 0 N--CA 1.476 0.873 0 N-CA-C 109.897 -0.409 . . . . 1.71 109.897 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -64.93 129.46 39.8 Favored 'General case' 0 N--CA 1.448 -0.542 0 CA-C-N 116.539 -0.3 . . . . 1.25 110.639 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 20.9 mt-10 -58.96 -37.79 77.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.436 . . . . 1.97 111.364 -179.567 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 7.0 mp0 -60.42 -45.54 93.26 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.243 -0.435 . . . . 1.98 110.724 179.677 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.443 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 1.0 OUTLIER -60.17 -48.51 81.4 Favored 'General case' 0 CA--C 1.515 -0.394 0 N-CA-C 109.759 -0.46 . . . . 1.62 109.759 179.272 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 42.8 mm -52.91 -40.94 38.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.704 -0.68 . . . . 1.13 110.604 178.198 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -66.85 -38.47 86.45 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.995 0.426 . . . . 0.74 110.824 179.197 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 56.9 mt-10 -67.69 -47.58 69.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.314 -0.403 . . . . 1.57 109.973 179.109 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.443 ' CE2' ' HB3' ' A' ' 8' ' ' GLN . 19.3 m-85 -63.66 -32.01 73.35 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 116.379 -0.373 . . . . 1.85 111.046 179.741 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.3 ttpt -56.24 -37.79 70.22 Favored 'General case' 0 C--O 1.236 0.35 0 N-CA-C 109.293 -0.632 . . . . 1.5 109.293 177.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -70.85 -39.46 72.94 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-N 115.236 -0.893 . . . . 1.64 110.228 178.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.499 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -59.91 -47.19 86.77 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.304 -0.628 . . . . 0.51 109.304 178.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -35.8 71.0 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.175 -0.92 . . . . 1.23 109.974 177.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.1 m -70.68 -23.12 62.43 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.663 -0.699 . . . . 0.77 111.816 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.499 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -90.34 -31.99 16.67 Favored 'General case' 0 CA--C 1.519 -0.236 0 C-N-CA 120.461 -0.496 . . . . 1.43 110.225 179.431 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' B' ' 6' ' ' ILE . 16.1 m-85 -72.16 -45.11 61.75 Favored 'General case' 0 N--CA 1.461 0.103 0 CA-C-O 121.275 0.56 . . . . 0.56 110.221 178.054 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -70.88 143.71 50.92 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.501 -0.772 . . . . 0.54 111.504 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 13.4 mmtm -139.86 14.57 2.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.73 110.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 16.0 p30 -123.84 -20.43 5.42 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 111.887 0.328 . . . . 0.57 111.887 -179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 83.5 21.0 59.12 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 121.147 -0.549 . . . . 0.59 112.387 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -90.88 -22.62 20.83 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 122.373 -0.487 . . . . 0.58 110.365 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 92.19 5.71 65.45 Favored Glycine 0 N--CA 1.449 -0.492 0 C-N-CA 120.647 -0.787 . . . . 0.74 113.14 178.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -126.16 143.56 51.08 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 117.108 0.454 . . . . 0.47 111.004 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.806 HG21 HG13 ' A' ' 63' ' ' ILE . 1.9 mt -76.09 140.72 16.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.922 -0.581 . . . . 0.41 110.391 179.714 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.1 p -128.18 -179.12 4.83 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 109.3 -0.63 . . . . 0.41 109.3 176.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -80.42 -37.91 31.21 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.624 0.726 . . . . 0.6 110.934 -179.484 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -74.61 -26.85 60.18 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.403 -0.817 . . . . 2.22 111.939 -177.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -75.01 -50.43 16.58 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.09 0.472 . . . . 0.42 110.505 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.808 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.3 mp -67.07 -38.0 85.01 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-N 116.209 -0.451 . . . . 0.5 111.154 -179.019 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.89 -34.04 70.42 Favored Glycine 0 C--N 1.335 0.479 0 C-N-CA 120.789 -0.719 . . . . 0.5 112.144 179.456 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 56.8 m -63.59 -40.14 96.17 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.761 -0.459 . . . . 0.6 109.761 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.46 -45.03 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 CA-C-O 120.943 0.401 . . . . 0.63 111.015 179.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.512 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -67.57 -11.85 59.03 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.399 0.619 . . . . 1.07 110.432 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.547 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 0.2 OUTLIER -82.54 -41.59 19.45 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 108.735 -0.839 . . . . 1.82 108.735 179.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . 0.537 ' HB2' ' OD1' ' A' ' 111' ' ' ASN . 0.6 OUTLIER -71.24 -15.37 62.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.014 -0.539 . . . . 0.8 110.996 178.884 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 49.5 mt -79.46 -1.85 39.31 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.139 -0.482 . . . . 0.86 110.962 179.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 90.28 25.12 27.11 Favored Glycine 0 CA--C 1.503 -0.661 0 C-N-CA 121.065 -0.588 . . . . 0.89 112.277 179.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.547 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 37.1 mt-30 -127.94 144.76 51.1 Favored 'General case' 0 C--N 1.321 -0.664 0 N-CA-C 109.444 -0.576 . . . . 1.25 109.444 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 7.1 t-20 -134.64 90.87 22.33 Favored Pre-proline 0 C--N 1.321 -0.652 0 N-CA-C 109.415 -0.587 . . . . 1.37 109.415 179.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.512 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 19.7 Cg_endo -89.57 153.7 5.27 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 123.722 2.948 . . . . 0.74 112.8 -179.299 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.3 p -86.69 174.31 8.93 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.089 -0.338 . . . . 1.04 110.089 179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 0.4 OUTLIER -56.15 -27.23 53.43 Favored 'General case' 0 CA--C 1.532 0.261 0 CA-C-O 120.682 0.277 . . . . 2.18 110.791 179.447 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' O ' ' HB2' ' A' ' 50' ' ' ASP . . . -70.51 -39.61 74.02 Favored 'General case' 0 CA--C 1.535 0.381 0 CA-C-O 121.206 0.527 . . . . 0.63 109.642 179.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -74.42 -40.53 61.93 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 115.768 -0.651 . . . . 1.57 110.195 179.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.412 ' O ' HG12 ' A' ' 52' ' ' ILE . 54.2 mt -64.98 -22.03 66.94 Favored 'General case' 0 CA--C 1.517 -0.289 0 CA-C-N 115.562 -0.744 . . . . 0.64 110.955 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.446 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 1.5 tp-100 -90.08 -42.92 10.83 Favored 'General case' 0 C--N 1.32 -0.678 0 N-CA-C 108.36 -0.978 . . . . 1.26 108.36 179.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.411 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 1.5 t70 -59.06 -41.98 89.2 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 114.749 -1.114 . . . . 1.38 110.228 179.327 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.2 mmt -54.06 -49.39 69.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.35 -0.841 . . . . 1.38 111.269 178.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 48' ' ' LEU . 19.1 mm -68.23 -31.96 53.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.625 -0.716 . . . . 0.48 111.541 179.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -60.17 -27.21 66.94 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 121.443 0.64 . . . . 1.4 111.776 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 50' ' ' ASP . 12.1 mm-40 -82.39 6.98 15.39 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.886 -0.597 . . . . 2.84 111.283 179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.706 HG11 HD13 ' A' ' 63' ' ' ILE . 90.3 t -130.51 -41.54 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.644 0.735 . . . . 0.82 109.493 178.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.432 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 7.8 t70 -70.18 135.36 49.02 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 114.902 -1.045 . . . . 0.55 110.562 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -130.9 -14.98 3.46 Favored 'General case' 0 C--N 1.317 -0.833 0 CA-C-N 116.01 -0.541 . . . . 0.68 110.813 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.512 ' OD1' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -79.73 -23.63 42.18 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.919 -0.582 . . . . 0.74 110.257 -179.826 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 92.89 40.36 4.95 Favored Glycine 0 N--CA 1.443 -0.853 0 C-N-CA 120.794 -0.717 . . . . 0.9 112.232 179.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.512 ' HB3' ' OD1' ' A' ' 58' ' ' ASP . 0.0 OUTLIER -120.05 -23.61 6.29 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 120.938 0.399 . . . . 0.6 110.496 179.843 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.432 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 73.3 52.47 8.66 Favored Glycine 0 N--CA 1.445 -0.753 0 C-N-CA 120.971 -0.633 . . . . 0.52 112.371 179.679 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 54.1 m -160.14 126.05 4.14 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 122.411 0.284 . . . . 0.57 110.529 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.806 HG13 HG21 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -68.49 102.69 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.278 0 N-CA-C 109.115 -0.698 . . . . 0.46 109.115 178.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.473 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.2 p30 -106.1 178.64 4.5 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 0.52 110.194 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 6.0 t80 -65.08 -48.25 70.94 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 112.842 0.682 . . . . 1.15 112.842 -178.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo -54.28 -45.41 41.21 Favored 'Trans proline' 0 C--N 1.359 1.11 0 C-N-CA 121.873 1.716 . . . . 0.63 112.245 179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 63.8 mt-10 -75.83 -30.08 58.87 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 109.953 -0.388 . . . . 0.51 109.953 179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.598 ' O ' ' HB2' ' A' ' 72' ' ' MET . 64.0 t80 -59.9 -40.98 90.61 Favored 'General case' 0 N--CA 1.455 -0.206 0 CA-C-N 115.969 -0.56 . . . . 1.44 110.5 -179.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 89.0 mt -67.29 -54.6 19.37 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.881 -0.599 . . . . 0.89 111.746 -179.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . 0.442 ' O ' ' HB2' ' A' ' 74' ' ' ARG . 0.6 OUTLIER -60.47 -47.78 84.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.327 0.584 . . . . 0.74 110.705 -179.386 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.758 ' HG3' HD22 ' B' ' 4' ' ' LEU . 1.6 ttp -60.77 -40.88 94.15 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.01 -0.996 . . . . 0.71 110.733 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.598 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 4.5 tmm? -66.03 -57.16 8.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.139 -0.482 . . . . 1.69 110.35 -179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.99 -28.07 62.05 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.116 -0.493 . . . . 0.63 111.439 -179.43 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.735 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 0.1 OUTLIER -76.11 -15.61 60.05 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 112.224 0.453 . . . . 1.45 112.224 179.31 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.53 ' NZ ' ' HG ' ' B' ' 4' ' ' LEU . 0.5 OUTLIER -113.17 -34.24 5.74 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.274 -0.57 . . . . 0.86 112.149 -179.827 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.594 ' HB2' ' SD ' ' A' ' 72' ' ' MET . 7.5 tmm? -61.75 -40.69 96.02 Favored 'General case' 0 CA--C 1.518 -0.259 0 CA-C-O 120.649 0.262 . . . . 1.68 110.324 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 13.9 mtmt -112.12 20.96 16.36 Favored 'General case' 0 N--CA 1.452 -0.372 0 CA-C-O 120.71 0.29 . . . . 1.95 110.777 -179.673 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.735 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.3 t70 -69.04 135.41 50.8 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-O 121.246 0.546 . . . . 1.41 111.678 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -147.46 21.66 1.18 Allowed 'General case' 0 C--N 1.315 -0.9 0 CA-C-N 115.163 -0.926 . . . . 1.45 109.866 177.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -131.96 26.89 4.6 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 108.376 -0.972 . . . . 1.78 108.376 178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.474 ' HB3' ' HG2' ' A' ' 84' ' ' GLU . 0.7 OUTLIER -41.59 124.01 2.36 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 113.365 -1.743 . . . . 1.1 114.014 -179.102 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -121.7 -46.86 2.22 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-O 121.138 0.494 . . . . 1.86 109.693 178.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -115.01 -24.81 8.42 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.299 -0.41 . . . . 2.7 110.916 179.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.587 ' CD ' ' H ' ' A' ' 84' ' ' GLU . 2.0 pm0 -53.14 -37.37 61.75 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.63 0.581 . . . . 1.27 110.985 178.581 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.651 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 45.1 mt -53.97 -49.97 56.6 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.716 0 CA-C-O 121.338 0.59 . . . . 1.5 109.92 178.442 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.7 -47.47 75.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.347 -0.842 . . . . 2.57 110.589 -179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.434 ' OE2' ' HG2' ' B' ' 1' ' ' MET . 3.2 tt0 -48.41 -62.25 1.59 Allowed 'General case' 0 C--O 1.237 0.42 0 CA-C-N 115.735 -0.666 . . . . 1.47 112.113 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.06 -21.14 65.01 Favored 'General case' 0 N--CA 1.448 -0.561 0 N-CA-C 111.732 0.271 . . . . 0.41 111.732 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.651 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.39 -37.52 65.94 Favored 'General case' 0 C--O 1.215 -0.726 0 N-CA-C 109.629 -0.508 . . . . 0.75 109.629 178.619 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 41.6 ttt180 -75.98 -28.94 58.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.505 . . . . 2.35 110.245 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.74 HG21 ' SG ' ' B' ' 5' ' ' CYS . 79.8 t -74.1 -37.27 46.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.051 0.453 . . . . 0.47 109.976 179.386 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 -82.97 -48.06 11.07 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.902 -0.59 . . . . 0.47 111.073 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -80.36 111.32 16.64 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-O 121.271 0.557 . . . . 0.8 109.791 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.412 ' HB3' ' HG2' ' A' ' 104' ' ' GLU . 38.4 tttm -97.41 -31.29 12.45 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 115.799 -0.637 . . . . 1.7 111.864 -178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 12.6 p30 -75.2 -19.21 59.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.318 . . . . 0.67 110.54 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 75.7 20.09 78.51 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.819 -0.705 . . . . 0.72 112.198 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.525 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -85.53 -18.52 33.21 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.493 0.187 . . . . 0.72 110.876 -178.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.8 27.16 24.92 Favored Glycine 0 C--N 1.333 0.365 0 C-N-CA 120.589 -0.815 . . . . 0.58 113.426 178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.525 ' HB2' HD21 ' A' ' 97' ' ' ASN . 12.5 m-85 -144.69 113.16 6.61 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-O 120.909 0.385 . . . . 1.57 110.263 179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.42 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 33.5 mt -89.75 139.28 17.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.905 -0.588 . . . . 0.69 111.071 -179.357 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 103' ' ' ALA . 4.2 p -152.55 -170.71 3.72 Favored 'General case' 0 C--N 1.323 -0.548 0 N-CA-C 110.274 -0.269 . . . . 1.14 110.274 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.63 9.81 1.3 Allowed 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 122.644 1.211 . . . . 1.3 109.414 178.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -82.1 -77.28 0.23 Allowed 'General case' 0 C--N 1.315 -0.895 0 CA-C-N 113.341 -1.754 . . . . 0.93 109.631 179.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.42 ' O ' HG23 ' A' ' 108' ' ' VAL . 1.9 mt-10 -80.89 -32.55 34.79 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 115.461 -0.79 . . . . 0.83 113.006 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.489 HD23 HG13 ' A' ' 121' ' ' VAL . 1.3 tp -59.22 -40.55 86.22 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.21 0.528 . . . . 0.63 110.697 -178.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -57.29 -43.36 83.1 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.895 -1.048 . . . . 1.18 110.254 179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -61.18 -47.27 86.94 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.126 -0.488 . . . . 0.83 110.732 -179.617 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 104' ' ' GLU . 5.9 t -62.13 -46.5 96.33 Favored 'Isoleucine or valine' 0 C--O 1.233 0.198 0 N-CA-C 111.82 0.304 . . . . 0.53 111.82 -179.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.61 -42.38 92.48 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.793 0.33 . . . . 0.86 111.215 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 2.9 m -71.88 -26.52 62.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.11 -0.496 . . . . 0.67 110.612 179.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . 0.537 ' OD1' ' HB2' ' A' ' 38' ' ' SER . 1.2 t-20 -79.56 -45.65 18.82 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.507 -0.315 . . . . 0.88 110.789 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 38.8 mt -61.89 -43.91 97.88 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 121.297 0.57 . . . . 0.93 110.391 179.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 115.05 33.76 1.6 Allowed Glycine 0 N--CA 1.447 -0.594 0 C-N-CA 120.819 -0.705 . . . . 0.89 112.177 -179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.445 ' OE2' ' HD3' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -77.6 157.69 30.15 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-O 121.142 0.496 . . . . 1.61 110.692 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -90.53 28.25 1.53 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.963 -0.562 . . . . 1.18 110.962 -179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -109.04 122.94 48.33 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 112.187 0.44 . . . . 1.27 112.187 -178.349 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -84.85 -171.95 3.91 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.665 -0.698 . . . . 1.04 109.737 177.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.51 -45.34 94.16 Favored 'General case' 0 CA--C 1.534 0.334 0 N-CA-C 111.864 0.32 . . . . 1.38 111.864 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -63.26 -33.78 76.24 Favored 'General case' 0 N--CA 1.467 0.388 0 CA-C-O 120.847 0.356 . . . . 2.33 110.671 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -74.17 -33.31 63.43 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-N 115.512 -0.767 . . . . 1.86 108.985 -179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.489 HG13 HD23 ' A' ' 105' ' ' LEU . 3.5 t -65.41 -44.79 94.36 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.348 0 CA-C-N 115.412 -0.813 . . . . 0.76 109.349 178.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -65.59 -47.07 77.01 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-O 120.836 0.351 . . . . 0.96 110.24 179.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 15.6 tp10 -57.45 -40.62 78.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.588 -0.733 . . . . 1.2 110.484 179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.735 ' SD ' ' HG2' ' B' ' 13' ' ' ARG . 10.7 ttt -69.92 -44.53 69.45 Favored 'General case' 0 C--O 1.219 -0.536 0 CA-C-N 116.433 -0.349 . . . . 0.76 110.903 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 8.2 mm -51.91 -28.66 10.22 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 CA-C-O 120.993 0.425 . . . . 0.92 111.442 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -79.13 17.67 0.75 Allowed 'General case' 0 C--O 1.237 0.44 0 N-CA-C 112.484 0.55 . . . . 0.94 112.484 -179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -90.06 -40.26 12.4 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.498 -0.556 . . . . 2.04 109.498 178.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.45 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -101.98 -22.64 14.25 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.947 -0.569 . . . . 0.96 111.244 179.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -69.49 103.25 2.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.153 -0.476 . . . . 0.87 109.876 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 128' ' ' ALA . 23.1 mm -97.36 -28.36 3.74 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.974 -0.557 . . . . 1.01 111.199 -178.623 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 14.3 p30 -75.88 -22.65 55.93 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.904 0.383 . . . . 1.02 111.758 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 77.89 29.33 54.79 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.634 -0.793 . . . . 0.94 111.552 -179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -95.87 -19.27 19.71 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.73 0.3 . . . . 0.95 110.514 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 89.95 7.8 67.85 Favored Glycine 0 N--CA 1.45 -0.406 0 C-N-CA 121.007 -0.616 . . . . 0.84 113.358 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.428 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 80.3 mt-30 -132.27 111.03 11.03 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.663 0.268 . . . . 1.26 110.385 179.663 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 57.0 t -72.38 119.09 18.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 N-CA-C 109.908 -0.404 . . . . 0.69 109.908 179.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . 0.516 ' HB3' ' CE1' ' A' ' 99' ' ' TYR . 28.4 p30 -96.72 -175.09 3.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.371 -0.377 . . . . 0.97 110.423 179.671 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.453 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.2 OUTLIER -58.5 -51.79 68.36 Favored 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 116.569 -0.287 . . . . 1.35 111.704 -178.836 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.513 ' O ' ' HG3' ' A' ' 143' ' ' GLN . 5.8 mp0 -57.8 -48.04 80.85 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.187 -0.46 . . . . 2.6 111.527 -179.372 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -58.52 -38.18 77.18 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.372 -0.376 . . . . 0.66 111.537 -179.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.58 ' HE1' ' CD1' ' B' ' 12' ' ' TYR . 7.4 t80 -74.71 -35.25 62.71 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.235 -0.439 . . . . 0.88 110.598 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 138' ' ' TYR . 53.5 t -63.62 -42.49 96.26 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 CA-C-O 120.93 0.395 . . . . 0.7 109.999 179.078 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.533 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 17.1 mt-30 -67.73 -4.12 11.31 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 116.113 -0.494 . . . . 1.5 111.342 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.452 ' HE2' ' CE1' ' B' ' 12' ' ' TYR . 4.1 mmm -111.4 -32.14 6.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.115 0.483 . . . . 0.89 111.472 -179.62 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -90.89 -50.57 5.81 Favored 'General case' 0 C--N 1.328 -0.33 0 O-C-N 121.923 -0.485 . . . . 1.47 111.01 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.6 m -79.73 -30.97 41.03 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.076 -0.511 . . . . 1.07 111.46 -179.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.527 0 CA-C-O 120.673 0.273 . . . . 1.33 110.64 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.434 ' HG2' ' OE2' ' A' ' 87' ' ' GLU . 4.2 ttt . . . . . 0 N--CA 1.494 1.765 0 CA-C-O 122.474 1.13 . . . . 2.55 109.287 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.477 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -49.81 -55.2 15.08 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 113.763 -1.562 . . . . 1.88 112.06 179.64 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.808 ' SG ' HD21 ' A' ' 32' ' ' LEU . 32.9 m -61.86 -33.04 73.46 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 116.528 -0.306 . . . . 0.64 111.348 -179.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.758 HD22 ' HG3' ' A' ' 71' ' ' MET . 2.0 tp -75.79 -41.43 52.93 Favored 'General case' 0 CA--C 1.509 -0.616 0 CA-C-N 116.361 -0.381 . . . . 1.25 111.949 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.74 ' SG ' HG21 ' A' ' 91' ' ' VAL . 14.3 p -64.49 -25.5 68.02 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.801 -0.814 . . . . 0.61 108.801 178.071 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.77 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -66.84 -40.41 85.8 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.501 0 N-CA-C 107.221 -1.4 . . . . 0.62 107.221 176.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.518 HG23 ' O ' ' B' ' 3' ' ' CYS . 19.4 t -65.11 -42.28 93.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.14 0 CA-C-N 115.262 -0.881 . . . . 0.57 109.28 178.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.509 ' OG1' ' HG2' ' A' ' 75' ' ' LYS . 4.3 m -66.88 -40.41 87.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.457 0.646 . . . . 0.63 109.992 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.421 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 95.0 m -63.45 -37.91 89.12 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.766 -0.827 . . . . 0.83 108.766 178.269 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.67 -39.27 93.38 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.018 -0.537 . . . . 2.03 109.865 178.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.464 ' HE2' ' OE1' ' B' ' 15' ' ' GLN . 8.0 tttt -63.36 -51.19 66.91 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 109.203 -0.666 . . . . 1.32 109.203 178.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.58 ' CD1' ' HE1' ' A' ' 141' ' ' PHE . 56.5 t80 -60.82 -37.22 81.24 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.31 -0.859 . . . . 1.21 110.089 179.819 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.735 ' HG2' ' SD ' ' A' ' 124' ' ' MET . 0.0 OUTLIER -80.52 -9.99 59.75 Favored 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.126 -0.488 . . . . 3.1 111.176 179.279 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.4 t80 -94.62 -15.46 24.01 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.07 0.462 . . . . 1.47 109.757 177.644 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.464 ' OE1' ' HE2' ' B' ' 11' ' ' LYS . 0.1 OUTLIER -87.75 -10.19 51.79 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.795 -0.639 . . . . 1.41 110.041 179.728 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 14.6 p-10 -61.27 -33.57 73.75 Favored 'General case' 0 CA--C 1.534 0.332 0 CA-C-N 115.817 -0.629 . . . . 2.65 111.425 -179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -109.15 45.66 1.04 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.458 0.646 . . . . 4.01 110.533 179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -85.06 -58.68 2.59 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-O 121.144 0.497 . . . . 3.44 109.841 178.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.245 0.82 0 CA-C-O 118.389 -0.815 . . . . 4.48 109.622 179.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 68.6 tp . . . . . 0 N--CA 1.477 0.907 0 N-CA-C 109.958 -0.386 . . . . 1.71 109.958 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.94 121.03 5.42 Favored 'General case' 0 C--O 1.235 0.3 0 O-C-N 123.137 0.273 . . . . 1.25 110.756 179.068 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -55.44 -33.82 63.92 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 123.726 0.641 . . . . 1.97 111.164 -179.772 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.607 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 1.8 mp0 -54.38 -46.56 73.07 Favored 'General case' 0 N--CA 1.45 -0.47 0 CA-C-N 116.127 -0.488 . . . . 1.98 110.168 178.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -62.19 -46.83 87.16 Favored 'General case' 0 N--CA 1.455 -0.179 0 N-CA-C 109.719 -0.475 . . . . 1.62 109.719 178.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 30.9 mm -52.95 -45.45 51.79 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.162 -0.472 . . . . 1.13 110.201 177.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -64.69 -29.61 70.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.465 -0.788 . . . . 0.74 111.081 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.607 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 48.7 mt-10 -74.98 -50.21 17.35 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.39 -0.368 . . . . 1.57 110.287 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.424 ' CZ ' HG13 ' B' ' 7' ' ' VAL . 65.6 m-85 -60.24 -23.04 63.74 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 116.375 -0.375 . . . . 1.85 110.878 179.157 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.523 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 2.0 ttpt -51.84 -39.96 59.73 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 115.67 -0.695 . . . . 1.5 109.553 176.576 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -69.96 -34.46 73.44 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 115.425 -0.807 . . . . 1.64 110.452 179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.543 ' HA ' HD23 ' A' ' 18' ' ' LEU . . . -63.67 -50.05 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.203 -0.453 . . . . 0.51 110.164 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -61.04 -27.73 68.54 Favored 'General case' 0 N--CA 1.449 -0.518 0 N-CA-C 110.043 -0.354 . . . . 1.23 110.043 177.249 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.0 m -80.51 -9.13 59.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.587 -0.733 . . . . 0.77 110.969 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.543 HD23 ' HA ' ' A' ' 15' ' ' ALA . 1.6 pp -105.65 -39.35 6.11 Favored 'General case' 0 N--CA 1.45 -0.43 0 N-CA-C 109.894 -0.41 . . . . 1.43 109.894 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.77 ' CE2' HD12 ' B' ' 6' ' ' ILE . 15.7 m-85 -68.35 -41.16 81.1 Favored 'General case' 0 N--CA 1.455 -0.181 0 N-CA-C 109.939 -0.393 . . . . 0.56 109.939 177.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -77.66 140.2 39.56 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.864 -0.607 . . . . 0.54 110.679 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 21' ' ' LYS . 26.6 mmtm -138.83 20.58 2.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.987 -0.551 . . . . 0.73 111.441 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 8.5 p30 -127.83 -26.11 2.98 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 111.835 0.309 . . . . 0.57 111.835 -179.661 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.21 12.64 56.02 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.885 -0.674 . . . . 0.59 112.675 179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.7 -27.22 27.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.057 0.455 . . . . 0.58 109.993 179.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.02 19.05 48.46 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 120.571 -0.823 . . . . 0.74 113.889 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -136.64 146.32 45.86 Favored 'General case' 0 C--O 1.239 0.527 0 CA-C-N 117.307 0.554 . . . . 0.47 110.373 178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.588 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.2 mp -80.04 134.4 27.58 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.352 0 CA-C-N 115.789 -0.641 . . . . 0.41 111.2 -178.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.7 p -124.92 176.15 6.83 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 108.483 -0.932 . . . . 0.41 108.483 176.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.8 m -78.39 -37.23 44.55 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.531 0.681 . . . . 0.6 109.4 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -64.88 -36.57 84.79 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.099 -0.955 . . . . 2.22 112.411 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.449 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 42.2 mt-10 -71.64 -57.3 4.51 Favored 'General case' 0 N--CA 1.449 -0.494 0 O-C-N 121.979 -0.451 . . . . 0.42 111.231 -178.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.737 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -60.88 -35.91 77.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.911 -0.586 . . . . 0.5 110.53 -179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.84 -39.65 97.14 Favored Glycine 0 N--CA 1.45 -0.431 0 CA-C-N 115.833 -0.621 . . . . 0.5 111.951 179.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 97.6 m -60.44 -34.18 73.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.781 0.324 . . . . 0.6 110.873 178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 43.7 t -74.47 -38.57 46.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-O 120.763 0.315 . . . . 0.63 110.71 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.519 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 11.6 ttm -74.57 -11.2 60.14 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.094 0.473 . . . . 1.07 110.553 179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.47 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 21.7 ttp180 -77.63 -44.8 27.03 Favored 'General case' 0 C--N 1.319 -0.754 0 N-CA-C 109.126 -0.694 . . . . 1.82 109.126 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -69.62 -7.72 41.24 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.642 -0.708 . . . . 0.8 111.641 178.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.8 mt -82.69 -1.65 51.89 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.957 0.408 . . . . 0.86 109.931 179.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 93.51 7.05 62.12 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.616 -0.802 . . . . 0.89 111.159 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.47 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 10.3 mm100 -108.75 141.61 40.49 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.15 -0.525 . . . . 1.25 110.232 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -132.18 77.61 70.62 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 109.67 -0.493 . . . . 1.37 109.67 179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.519 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 73.3 Cg_endo -80.98 159.55 20.9 Favored 'Trans proline' 0 N--CA 1.458 -0.582 0 C-N-CA 122.402 2.068 . . . . 0.74 112.031 179.562 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 81.2 p -100.09 174.72 6.03 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.94 -0.573 . . . . 1.04 109.972 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 48' ' ' LEU . 4.7 mm-40 -51.89 -23.7 5.26 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.675 0.62 . . . . 2.18 112.675 -179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -73.37 -41.53 63.28 Favored 'General case' 0 C--O 1.235 0.333 0 CA-C-O 121.552 0.691 . . . . 0.63 109.969 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' HB2' ' HB2' ' A' ' 43' ' ' PRO . 11.7 mp0 -81.13 -40.17 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.447 -0.797 . . . . 1.57 109.672 178.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.431 ' HB2' ' HA ' ' A' ' 45' ' ' GLU . 37.3 mt -54.25 -45.49 72.38 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.777 -0.647 . . . . 0.64 111.899 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -78.6 -24.89 45.19 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.861 -0.335 . . . . 1.26 110.258 -179.452 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -60.4 -43.18 96.9 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.213 0.53 . . . . 1.38 109.812 179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.509 ' SD ' ' HG2' ' B' ' 1' ' ' MET . 21.6 mmt -63.75 -45.0 91.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.333 -0.848 . . . . 1.38 110.513 179.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.426 HG23 HG13 ' A' ' 63' ' ' ILE . 15.4 mm -66.12 -37.91 80.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 115.642 -0.708 . . . . 0.48 110.421 179.458 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.7 t30 -62.63 -31.74 72.65 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 116.155 -0.475 . . . . 1.4 110.862 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 10.7 tm-20 -63.06 -36.2 82.8 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.076 -0.511 . . . . 2.84 109.669 179.349 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.749 HG22 HD23 ' B' ' 4' ' ' LEU . 4.7 t -83.83 -36.66 12.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.216 0.531 . . . . 0.82 110.9 -179.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 2.8 t70 -65.39 129.2 38.88 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.339 -0.846 . . . . 0.55 112.107 -177.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -125.6 -15.91 5.93 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 115.436 -0.802 . . . . 0.68 110.368 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.428 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -83.3 -28.27 29.21 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 120.758 -0.377 . . . . 0.74 110.696 -179.3 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 98.82 33.06 5.68 Favored Glycine 0 N--CA 1.446 -0.646 0 C-N-CA 120.616 -0.802 . . . . 0.9 112.403 179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.428 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -108.42 -26.9 10.25 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 122.554 -0.38 . . . . 0.6 111.119 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.405 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.84 39.2 8.22 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.67 -0.776 . . . . 0.52 112.472 179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 11.2 m -159.84 135.06 8.11 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 122.411 0.285 . . . . 0.57 110.379 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.588 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 8.4 mt -72.77 100.96 1.18 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.319 0 N-CA-C 109.386 -0.598 . . . . 0.46 109.386 179.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.507 ' OD1' ' HD2' ' A' ' 66' ' ' PRO . 1.6 p30 -99.52 -174.89 2.84 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.276 -0.42 . . . . 0.52 111.155 -178.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -68.83 -47.95 30.92 Favored Pre-proline 0 CA--C 1.541 0.612 0 N-CA-C 112.578 0.585 . . . . 1.15 112.578 -179.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.507 ' HD2' ' OD1' ' A' ' 64' ' ' ASP . 76.8 Cg_exo -54.42 -43.77 55.7 Favored 'Trans proline' 0 C--N 1.358 1.063 0 C-N-CA 121.973 1.782 . . . . 0.63 112.162 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 69.3 mt-10 -72.89 -26.8 61.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.349 -0.387 . . . . 0.51 110.179 179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 16.7 t80 -63.08 -43.52 98.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.109 -0.496 . . . . 1.44 110.488 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.2 mt -66.93 -48.95 67.06 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.695 -0.684 . . . . 0.89 110.002 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 2.0 m -62.24 -44.48 96.47 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.125 -0.488 . . . . 0.74 110.668 179.369 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.799 ' HG3' HD22 ' B' ' 4' ' ' LEU . 19.1 ttp -56.64 -37.1 70.3 Favored 'General case' 0 CA--C 1.53 0.193 0 CA-C-O 121.56 0.695 . . . . 0.71 110.365 178.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.582 ' HA ' HG11 ' B' ' 7' ' ' VAL . 34.7 ttm -72.45 -41.4 66.16 Favored 'General case' 0 C--N 1.318 -0.782 0 CA-C-N 115.195 -0.911 . . . . 1.69 110.0 -179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -65.1 -38.23 90.04 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.286 -0.415 . . . . 0.63 111.4 179.674 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 7.6 ttm180 -66.02 -7.96 20.27 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 112.545 0.572 . . . . 1.45 112.545 179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.56 ' CE ' HD12 ' B' ' 4' ' ' LEU . 1.4 tppt? -124.24 -30.2 3.47 Favored 'General case' 0 C--O 1.233 0.211 0 N-CA-C 112.186 0.439 . . . . 0.86 112.186 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.616 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 8.4 ttm -55.24 -32.84 62.64 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.143 0.497 . . . . 1.68 110.574 179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.616 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 32.8 mtmt -134.49 32.74 3.32 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.889 -0.596 . . . . 1.95 110.433 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.563 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 9.6 t70 -68.11 107.77 2.87 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-O 121.01 0.433 . . . . 1.41 110.117 179.612 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 16.7 p -130.33 11.93 5.46 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-O 121.319 0.58 . . . . 1.45 110.598 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -136.09 36.43 2.79 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 108.347 -0.983 . . . . 1.78 108.347 179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -36.8 110.1 0.11 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 113.844 -1.526 . . . . 1.1 114.294 -178.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -84.03 -69.27 0.65 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.089 -1.078 . . . . 1.86 108.089 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -119.84 -5.21 10.14 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 108.322 -0.992 . . . . 2.7 108.322 177.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -50.57 -51.01 52.08 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 114.601 -1.181 . . . . 1.27 112.565 -178.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.451 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 2.2 pt -61.3 -33.25 55.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-O 120.873 0.368 . . . . 1.5 110.71 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -48.36 56.71 Favored 'General case' 0 C--O 1.217 -0.634 0 CA-C-N 115.992 -0.549 . . . . 2.57 109.86 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.57 ' OE2' ' HB3' ' B' ' 4' ' ' LEU . 0.0 OUTLIER -52.0 -51.31 58.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 123.688 0.617 . . . . 1.47 110.716 178.123 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.3 -24.55 66.57 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.739 0.304 . . . . 0.41 111.023 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.451 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.7 OUTLIER -81.85 -35.46 29.34 Favored 'General case' 0 C--O 1.219 -0.519 0 CA-C-O 120.985 0.421 . . . . 0.75 110.039 179.663 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.0 ttt180 -68.76 -33.55 74.09 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.041 -0.527 . . . . 2.35 110.261 179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.755 HG21 ' SG ' ' B' ' 5' ' ' CYS . 84.7 t -78.83 -35.14 17.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.47 110.139 179.447 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.444 ' HZ ' HG23 ' B' ' 9' ' ' THR . 4.2 m-30 -79.68 -42.53 24.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 0.47 112.085 -179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -89.8 97.39 11.16 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 120.973 0.416 . . . . 0.8 110.368 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 28.6 tttm -80.52 -26.98 37.8 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.031 -0.531 . . . . 1.7 112.324 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.9 p30 -80.86 -17.42 50.75 Favored 'General case' 0 C--N 1.33 -0.275 0 C-N-CA 120.43 -0.508 . . . . 0.67 111.175 -179.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 71.96 27.39 70.57 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.954 -0.641 . . . . 0.72 113.573 178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.501 HD21 ' HB2' ' A' ' 99' ' ' TYR . 2.0 p-10 -92.94 -19.46 21.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 117.519 0.66 . . . . 0.72 111.975 -179.516 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 98.77 4.35 56.93 Favored Glycine 0 CA--C 1.521 0.437 0 C-N-CA 120.483 -0.865 . . . . 0.58 113.159 179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.501 ' HB2' HD21 ' A' ' 97' ' ' ASN . 79.8 m-85 -133.38 108.2 8.55 Favored 'General case' 0 C--N 1.323 -0.584 0 N-CA-C 109.731 -0.47 . . . . 1.57 109.731 179.595 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 19.6 mt -71.36 117.65 14.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 N-CA-C 109.488 -0.56 . . . . 0.69 109.488 179.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -105.2 172.23 6.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.085 0.469 . . . . 1.14 111.847 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -70.35 79.2 0.54 Allowed 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 115.483 -0.78 . . . . 1.3 109.737 178.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . 175.03 -48.43 0.01 OUTLIER 'General case' 0 CA--C 1.509 -0.604 0 CA-C-N 115.284 -0.871 . . . . 0.93 110.956 -178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -65.81 -44.9 84.29 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.503 -0.771 . . . . 0.83 110.186 -179.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 16.1 tp -65.01 -35.2 80.41 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.428 -0.806 . . . . 0.63 109.005 179.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.1 mtt85 -57.78 -50.3 73.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.543 -0.753 . . . . 1.18 110.723 179.276 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 55.8 t60 -63.62 -54.52 34.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.969 -0.56 . . . . 0.83 110.957 -179.591 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 88.1 t -54.65 -47.77 72.47 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 N-CA-C 111.894 0.331 . . . . 0.53 111.894 -179.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -35.66 75.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.75 0.31 . . . . 0.86 111.584 -179.56 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 8.2 m -79.45 -31.23 42.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.931 0.396 . . . . 0.67 110.846 179.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.04 -45.19 78.19 Favored 'General case' 0 CA--C 1.516 -0.346 0 CA-C-N 116.27 -0.423 . . . . 0.88 110.446 179.672 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.6 mt -67.53 -25.65 65.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.73 -0.668 . . . . 0.93 110.097 179.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 84.07 55.46 2.78 Favored Glycine 0 N--CA 1.446 -0.635 0 C-N-CA 120.844 -0.694 . . . . 0.89 111.7 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.23 159.37 14.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.902 -0.407 . . . . 1.61 109.902 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -86.47 38.7 0.79 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.28 -0.418 . . . . 1.18 110.247 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.405 ' HG ' ' HB3' ' A' ' 120' ' ' GLU . 1.3 mp -107.14 113.97 27.74 Favored 'General case' 0 C--O 1.235 0.303 0 CA-C-N 116.35 -0.387 . . . . 1.27 111.404 -179.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.91 175.42 10.7 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.039 -0.528 . . . . 1.04 110.181 178.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -51.55 -52.02 50.56 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 112.729 0.64 . . . . 1.38 112.729 -177.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.47 -24.5 66.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.446 -0.343 . . . . 2.33 111.525 -179.438 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.405 ' HB3' ' HG ' ' A' ' 116' ' ' LEU . 24.0 mm-40 -79.78 -34.56 39.61 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.111 -0.495 . . . . 1.86 110.33 -179.453 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.9 t -67.7 -39.05 81.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 109.058 -0.719 . . . . 0.76 109.058 178.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -65.51 -40.86 93.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.38 -0.827 . . . . 0.96 110.88 178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 18.8 tp10 -61.14 -39.37 89.8 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.038 -0.727 . . . . 1.2 109.038 179.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.645 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.1 ttt -67.99 -39.26 83.3 Favored 'General case' 0 C--O 1.22 -0.457 0 CA-C-N 115.26 -0.882 . . . . 0.76 109.412 178.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.432 ' O ' ' HB2' ' A' ' 129' ' ' ASP . 0.7 OUTLIER -55.21 -24.4 15.03 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.496 0 CA-C-N 115.523 -0.762 . . . . 0.92 111.882 179.825 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.416 ' HA ' ' CB ' ' A' ' 129' ' ' ASP . 21.8 mtm105 -99.05 7.21 46.15 Favored 'General case' 0 CA--C 1.534 0.353 0 N-CA-C 112.608 0.596 . . . . 0.94 112.608 -179.11 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.635 ' OE2' ' HG3' ' A' ' 124' ' ' MET . 10.0 pt-20 -70.24 -41.44 73.52 Favored 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 120.461 -0.496 . . . . 2.04 109.95 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.438 ' HA ' ' HG3' ' A' ' 144' ' ' MET . . . -104.08 -7.29 20.36 Favored 'General case' 0 CA--C 1.516 -0.328 0 CA-C-O 121.075 0.465 . . . . 0.96 110.969 178.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.432 ' HB2' ' O ' ' A' ' 125' ' ' ILE . 4.6 t70 -76.19 100.95 5.2 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.547 -0.751 . . . . 0.87 110.118 -178.817 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 7.9 mm -99.21 -15.76 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.555 -0.748 . . . . 1.01 111.154 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 24.1 p30 -86.27 -28.51 23.74 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.449 -0.341 . . . . 1.02 110.345 179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 82.64 48.87 5.38 Favored Glycine 0 N--CA 1.446 -0.642 0 N-CA-C 111.377 -0.689 . . . . 0.94 111.377 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -121.24 -17.15 7.77 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 111.741 0.274 . . . . 0.95 111.741 -178.695 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 92.61 3.45 66.57 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.398 -0.906 . . . . 0.84 113.647 179.039 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 35.4 mt-30 -124.16 115.49 21.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 117.297 0.549 . . . . 1.26 110.846 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.43 HG12 ' HB2' ' A' ' 141' ' ' PHE . 97.2 t -77.05 97.39 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 N-CA-C 109.24 -0.652 . . . . 0.69 109.24 178.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -75.08 174.2 9.71 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.54 . . . . 0.97 110.377 -179.554 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -53.86 -51.75 62.64 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 112.33 0.493 . . . . 1.35 112.33 -178.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 35.7 mm-40 -65.21 -37.53 87.6 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.865 0.321 . . . . 2.6 111.865 -177.673 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.626 ' O ' ' HB2' ' A' ' 144' ' ' MET . 19.1 mt-10 -63.08 -38.97 93.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.66 111.022 -179.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.525 ' CE2' ' CD1' ' B' ' 12' ' ' TYR . 51.8 t80 -80.59 -37.27 31.57 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.255 -0.429 . . . . 0.88 111.399 -179.151 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 7.2 t -61.22 -49.66 83.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.99 0.424 . . . . 0.7 110.923 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -78.72 1.11 24.15 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.052 -0.522 . . . . 1.5 112.213 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.626 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 2.0 tmm? -109.91 -38.2 5.41 Favored 'General case' 0 C--N 1.317 -0.83 0 C-N-CA 120.494 -0.482 . . . . 0.89 112.103 -178.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.643 ' SD ' HG22 ' B' ' 8' ' ' THR . 41.2 ttp -84.4 -44.9 13.28 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.253 -0.579 . . . . 1.47 110.802 -179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 19.5 m -71.9 -41.96 67.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.823 0.344 . . . . 1.07 111.427 179.609 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.403 0 CA-C-N 116.234 -0.439 . . . . 1.33 110.912 -179.115 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.524 ' HB2' ' HG3' ' A' ' 87' ' ' GLU . 9.4 ptp . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.787 0.327 . . . . 2.55 111.055 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.441 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -77.01 -72.46 0.35 Allowed 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.182 0.515 . . . . 1.88 110.041 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.737 ' SG ' HD21 ' A' ' 32' ' ' LEU . 76.7 m -65.38 -24.53 67.25 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.809 0.814 . . . . 0.64 108.982 179.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.799 HD22 ' HG3' ' A' ' 71' ' ' MET . 0.2 OUTLIER -66.36 -50.31 63.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.664 -1.153 . . . . 1.25 109.985 178.682 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.755 ' SG ' HG21 ' A' ' 91' ' ' VAL . 13.7 p -64.8 -24.07 67.44 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 116.692 -0.231 . . . . 0.61 110.851 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.77 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.19 -41.57 91.97 Favored 'Isoleucine or valine' 0 C--O 1.232 0.159 0 N-CA-C 108.428 -0.953 . . . . 0.62 108.428 177.109 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.582 HG11 ' HA ' ' A' ' 72' ' ' MET . 2.6 t -66.09 -38.06 81.16 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 109.607 -0.516 . . . . 0.57 109.607 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.643 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.2 OUTLIER -69.54 -41.09 76.39 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.272 -0.422 . . . . 0.63 110.963 179.224 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.449 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 96.2 m -62.15 -33.27 74.17 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 108.481 -0.933 . . . . 0.83 108.481 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -68.68 -43.6 75.8 Favored 'General case' 0 N--CA 1.446 -0.674 0 CA-C-N 114.918 -1.037 . . . . 2.03 109.823 179.072 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 tmtt? -62.5 -45.81 91.32 Favored 'General case' 0 N--CA 1.466 0.341 0 N-CA-C 109.186 -0.672 . . . . 1.32 109.186 179.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.525 ' CD1' ' CE2' ' A' ' 141' ' ' PHE . 90.3 t80 -62.99 -46.5 87.41 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 115.921 -0.581 . . . . 1.21 109.832 178.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.645 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -71.28 -11.87 61.14 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-N 115.935 -0.575 . . . . 3.1 111.15 -178.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -102.04 -9.06 20.93 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.935 -0.575 . . . . 1.47 109.855 178.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.429 ' HG2' ' O ' ' A' ' 144' ' ' MET . 6.1 tp60 -74.73 -38.45 62.27 Favored 'General case' 0 N--CA 1.445 -0.687 0 CA-C-N 115.279 -0.873 . . . . 1.41 109.798 -179.626 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -54.84 -37.79 66.61 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 121.526 0.679 . . . . 2.65 109.727 177.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -77.04 87.75 3.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.404 -0.816 . . . . 4.01 109.316 178.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -158.03 -55.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.926 -0.579 . . . . 3.44 110.753 -179.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 2.6 m . . . . . 0 C--O 1.249 1.053 0 CA-C-N 115.68 -0.691 . . . . 4.48 110.408 179.345 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 49.4 tp . . . . . 0 N--CA 1.477 0.918 0 CA-C-O 120.844 0.354 . . . . 1.71 110.209 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -66.69 132.98 49.28 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.915 -0.584 . . . . 1.25 112.079 -179.582 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -59.75 -26.53 65.75 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-N 115.814 -0.63 . . . . 1.97 111.557 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 19.2 mp0 -59.19 -47.99 83.29 Favored 'General case' 0 N--CA 1.463 0.182 0 N-CA-C 109.024 -0.732 . . . . 1.98 109.024 178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -60.61 -44.74 95.96 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.512 -0.767 . . . . 1.62 109.661 179.259 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 43.1 mm -51.9 -43.94 36.71 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 CA-C-N 116.116 -0.493 . . . . 1.13 110.357 177.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.404 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -66.87 -31.77 72.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.92 -0.582 . . . . 0.74 111.081 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 74.5 mt-10 -72.1 -49.25 37.75 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.28 -0.418 . . . . 1.57 110.477 179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -60.36 -29.34 68.85 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.461 -0.336 . . . . 1.85 110.529 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 6.5 ttpt -55.79 -40.24 72.39 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.237 -0.653 . . . . 1.5 109.237 176.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 -69.89 -37.67 76.1 Favored 'General case' 0 C--O 1.234 0.244 0 CA-C-N 115.749 -0.659 . . . . 1.64 109.591 179.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.707 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -61.83 -51.84 66.59 Favored 'General case' 0 N--CA 1.454 -0.274 0 CA-C-N 115.466 -0.788 . . . . 0.51 109.999 178.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -56.18 -32.79 64.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.21 0.529 . . . . 1.23 110.098 178.133 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 43.6 m -71.52 -18.5 62.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.612 -0.722 . . . . 0.77 111.645 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.707 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 2.7 pp -93.68 -39.03 11.01 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 120.21 -0.596 . . . . 1.43 110.486 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.715 ' CE2' HD12 ' B' ' 6' ' ' ILE . 29.4 m-85 -69.06 -40.38 78.56 Favored 'General case' 0 CA--C 1.52 -0.184 0 CA-C-O 120.856 0.36 . . . . 0.56 110.451 178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -82.27 138.5 34.57 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.071 -0.513 . . . . 0.54 110.744 -179.635 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 27.5 mmtm -141.24 8.53 2.04 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.168 -0.469 . . . . 0.73 111.188 179.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 15.3 p30 -112.95 -17.93 12.35 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 111.824 0.305 . . . . 0.57 111.824 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.63 11.67 68.12 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 120.292 -0.956 . . . . 0.59 112.26 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.36 -27.88 25.57 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.899 0.38 . . . . 0.58 110.196 -179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.9 5.1 68.63 Favored Glycine 0 C--N 1.329 0.193 0 C-N-CA 120.8 -0.714 . . . . 0.74 114.215 177.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -123.1 158.61 30.3 Favored 'General case' 0 C--N 1.318 -0.763 0 CA-C-N 117.231 0.515 . . . . 0.47 110.581 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.564 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 1.5 mp -90.09 127.56 42.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.119 0.485 . . . . 0.41 111.921 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 72.3 p -119.45 173.85 6.73 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 108.886 -0.783 . . . . 0.41 108.886 178.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 1.7 m -80.79 -27.49 36.65 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.628 0.727 . . . . 0.6 109.872 -179.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.9 tttt -67.44 -38.49 84.61 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 114.617 -1.174 . . . . 2.22 112.256 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.538 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.9 mt-10 -75.61 -54.48 6.91 Favored 'General case' 0 C--N 1.317 -0.811 0 N-CA-C 112.701 0.63 . . . . 0.42 112.701 -177.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.71 HD21 ' SG ' ' B' ' 3' ' ' CYS . 10.1 mp -62.61 -34.72 77.6 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.259 -0.428 . . . . 0.5 110.619 -179.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.27 -35.55 91.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.927 -0.654 . . . . 0.5 112.155 179.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 99.3 m -63.23 -37.36 86.93 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-O 120.777 0.322 . . . . 0.6 111.076 179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 40.8 t -72.1 -41.38 67.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 121.417 0.627 . . . . 0.63 110.324 179.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 23.2 ttm -65.35 -11.19 39.69 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.404 -0.816 . . . . 1.07 111.042 179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.506 ' HA ' ' O ' ' A' ' 41' ' ' GLN . 8.9 ttp180 -85.57 -40.69 16.0 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.489 -0.778 . . . . 1.82 109.132 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 6.8 m -69.12 -11.43 60.78 Favored 'General case' 0 CA--C 1.532 0.256 0 CA-C-N 115.456 -0.793 . . . . 0.8 111.418 -179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 73.4 mt -85.57 12.94 7.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.154 0.502 . . . . 0.86 109.789 178.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.26 25.09 71.71 Favored Glycine 0 N--CA 1.445 -0.706 0 CA-C-N 115.782 -0.644 . . . . 0.89 112.053 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.506 ' O ' ' HA ' ' A' ' 37' ' ' ARG . 46.2 mt-30 -122.47 137.37 54.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.031 0.443 . . . . 1.25 109.976 179.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -121.34 81.36 37.95 Favored Pre-proline 0 C--N 1.319 -0.759 0 N-CA-C 108.863 -0.792 . . . . 1.37 108.863 178.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -82.17 138.5 10.1 Favored 'Trans proline' 0 N--CA 1.458 -0.6 0 C-N-CA 123.392 2.728 . . . . 0.74 112.007 -178.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 20.6 p -75.05 169.55 17.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.219 -0.446 . . . . 1.04 110.258 179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -47.68 -49.14 28.56 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 123.267 0.354 . . . . 2.18 111.891 179.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.04 -40.55 94.04 Favored 'General case' 0 N--CA 1.454 -0.275 0 N-CA-C 111.828 0.307 . . . . 0.63 111.828 -179.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.24 -39.25 78.6 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.377 -0.601 . . . . 1.57 109.377 -179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.408 ' O ' HG12 ' A' ' 52' ' ' ILE . 72.1 mt -66.78 -25.33 66.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.92 -0.582 . . . . 0.64 110.825 179.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -85.47 -37.71 19.42 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.334 -0.617 . . . . 1.26 109.334 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.495 ' O ' ' HG2' ' A' ' 54' ' ' GLU . 23.8 t70 -55.52 -37.96 68.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.267 -0.879 . . . . 1.38 109.197 178.36 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.403 ' O ' ' HB2' ' A' ' 54' ' ' GLU . 0.0 OUTLIER -62.85 -46.77 86.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.533 -0.758 . . . . 1.38 109.741 178.533 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.408 HG12 ' O ' ' A' ' 48' ' ' LEU . 14.1 mm -64.55 -38.93 83.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.178 -0.465 . . . . 0.48 110.069 179.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -58.42 -30.02 66.56 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.791 -0.641 . . . . 1.4 110.62 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.571 ' HB3' ' SD ' ' B' ' 1' ' ' MET . 6.4 mm-40 -63.25 -27.25 69.22 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.695 -0.684 . . . . 2.84 111.871 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.653 HG13 ' SD ' ' B' ' 1' ' ' MET . 1.8 m -119.84 23.76 4.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.962 0.41 . . . . 0.82 110.693 -179.528 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -123.54 113.91 19.35 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.714 -0.675 . . . . 0.55 110.155 -179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -122.39 -6.92 8.73 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 116.007 -0.542 . . . . 0.68 110.547 -179.421 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.459 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -81.45 -19.5 42.28 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.332 -0.618 . . . . 0.74 109.332 178.657 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.55 19.44 48.73 Favored Glycine 0 N--CA 1.449 -0.485 0 CA-C-N 115.626 -0.716 . . . . 0.9 114.209 177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.481 HD21 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -100.95 -18.63 16.24 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 117.301 0.55 . . . . 0.6 110.971 -179.692 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.06 51.57 10.1 Favored Glycine 0 CA--C 1.521 0.45 0 C-N-CA 120.737 -0.744 . . . . 0.52 112.354 -179.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.481 ' HB ' HD21 ' A' ' 60' ' ' ASN . 90.4 m -164.53 135.16 4.12 Favored 'General case' 0 N--CA 1.467 0.41 0 C-N-CA 122.603 0.361 . . . . 0.57 110.144 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.564 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 13.1 mt -74.0 101.32 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 108.4 -0.963 . . . . 0.46 108.4 178.623 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -106.71 179.32 4.3 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.512 -0.313 . . . . 0.52 111.255 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -69.59 -48.34 24.06 Favored Pre-proline 0 CA--C 1.533 0.313 0 N-CA-C 112.244 0.461 . . . . 1.15 112.244 -178.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -47.26 -51.64 9.15 Favored 'Trans proline' 0 C--N 1.359 1.107 0 C-N-CA 122.026 1.817 . . . . 0.63 112.066 178.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 65.3 mt-10 -70.43 -31.21 68.31 Favored 'General case' 0 CA--C 1.506 -0.739 0 CA-C-N 116.116 -0.493 . . . . 0.51 111.059 179.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.431 ' O ' ' HB2' ' A' ' 72' ' ' MET . 60.9 t80 -62.17 -37.44 85.27 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 116.074 -0.512 . . . . 1.44 110.371 -178.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.2 mt -64.38 -53.03 55.01 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.633 -0.712 . . . . 0.89 110.94 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.0 -37.96 75.84 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.95 -0.568 . . . . 0.74 111.201 -179.652 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.788 ' HG2' HD13 ' B' ' 4' ' ' LEU . 7.7 ttp -62.86 -42.29 99.7 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.829 -0.623 . . . . 0.71 110.392 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.449 ' HG2' HG21 ' B' ' 7' ' ' VAL . 3.4 tmm? -70.97 -42.96 69.05 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 115.992 -0.549 . . . . 1.69 110.726 -179.701 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.04 69.3 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 121.369 0.604 . . . . 0.63 110.576 179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.665 ' O ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 mtm180 -78.87 1.15 24.47 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.117 -0.947 . . . . 1.45 111.583 179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.68 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.2 OUTLIER -128.26 -20.23 3.76 Favored 'General case' 0 N--CA 1.467 0.385 0 C-N-CA 120.859 -0.337 . . . . 0.86 111.619 179.207 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.491 ' SD ' ' HG3' ' A' ' 77' ' ' LYS . 0.0 OUTLIER -60.97 -47.51 86.12 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 121.059 0.457 . . . . 1.68 111.28 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.491 ' HG3' ' SD ' ' A' ' 76' ' ' MET . 40.7 mtmt -127.29 30.68 5.35 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.446 -0.576 . . . . 1.95 109.446 179.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.665 ' HB2' ' O ' ' A' ' 74' ' ' ARG . 6.3 t0 -62.43 126.75 28.42 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.799 -0.637 . . . . 1.41 111.692 -178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -150.96 22.87 0.76 Allowed 'General case' 0 N--CA 1.443 -0.786 0 CA-C-N 114.718 -1.128 . . . . 1.45 108.942 177.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -145.65 34.5 1.04 Allowed 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.507 -0.769 . . . . 1.78 111.153 -178.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 1.5 p -89.41 172.72 8.81 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 113.847 1.055 . . . . 1.1 113.847 -178.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -136.38 -51.43 0.7 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 114.682 -1.145 . . . . 1.86 109.634 178.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 83' ' ' GLU . 0.3 OUTLIER -91.35 -30.01 16.79 Favored 'General case' 0 C--O 1.234 0.276 0 CA-C-N 115.875 -0.602 . . . . 2.7 111.62 -179.541 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 46.3 mm-40 -54.82 -37.68 66.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.066 -0.515 . . . . 1.27 111.757 -179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.539 HG21 HG22 ' A' ' 142' ' ' VAL . 12.5 mt -57.37 -45.33 85.35 Favored 'Isoleucine or valine' 0 C--O 1.238 0.464 0 CA-C-O 121.194 0.521 . . . . 1.5 111.095 179.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 86' ' ' ARG . 0.0 OUTLIER -65.62 -42.6 91.38 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.97 -0.559 . . . . 2.57 109.986 179.688 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.467 ' HG3' ' CG ' ' B' ' 1' ' ' MET . 0.5 OUTLIER -46.25 -64.79 0.67 Allowed 'General case' 0 CA--C 1.541 0.599 0 O-C-N 124.073 0.858 . . . . 1.47 112.002 179.58 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.02 -24.52 66.02 Favored 'General case' 0 N--CA 1.456 -0.147 0 N-CA-C 111.793 0.294 . . . . 0.41 111.793 -177.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -70.74 -42.83 70.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 C-N-CA 120.53 -0.468 . . . . 0.75 110.166 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 78.4 mtp180 -74.53 -18.86 60.53 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.552 -0.749 . . . . 2.35 111.369 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.813 HG21 ' SG ' ' B' ' 5' ' ' CYS . 72.0 t -77.39 -33.53 19.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 N-CA-C 109.409 -0.589 . . . . 0.47 109.409 178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -88.37 -42.75 11.99 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.686 -0.688 . . . . 0.47 111.027 179.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -83.9 100.58 11.09 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.953 -0.567 . . . . 0.8 110.185 -178.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 2.0 tmtm? -86.82 -29.15 22.47 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.046 -0.524 . . . . 1.7 112.055 -177.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.8 p30 -75.01 -21.45 59.11 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.324 -0.55 . . . . 0.67 111.007 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 79.95 16.17 77.53 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.981 -0.628 . . . . 0.72 111.923 178.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.14 -13.9 48.73 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-O 120.624 0.25 . . . . 0.72 110.549 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 37.27 18.29 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.661 -0.781 . . . . 0.58 113.352 178.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -149.96 109.69 4.06 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 122.554 0.342 . . . . 1.57 110.112 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . 0.66 ' O ' ' HA ' ' A' ' 135' ' ' GLN . 46.6 mt -80.19 135.49 25.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.444 0.164 . . . . 0.69 111.161 -179.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.424 ' C ' ' H ' ' A' ' 103' ' ' ALA . 75.1 p -144.48 177.73 8.45 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 110.04 -0.356 . . . . 1.14 110.04 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -73.01 3.59 5.21 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 122.257 1.027 . . . . 1.3 110.341 179.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.424 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -80.09 -72.09 0.42 Allowed 'General case' 0 C--N 1.309 -1.153 0 CA-C-N 113.242 -1.799 . . . . 0.93 108.37 178.658 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.474 ' O ' HG23 ' A' ' 108' ' ' VAL . 3.1 mt-10 -72.27 -35.51 68.77 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.043 -0.98 . . . . 0.83 112.161 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.528 HD23 HG13 ' A' ' 121' ' ' VAL . 24.1 tp -61.69 -37.35 83.82 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.897 0.379 . . . . 0.63 111.665 -178.444 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.418 HH11 ' HD2' ' A' ' 106' ' ' ARG . 28.5 ttm180 -63.63 -36.77 84.94 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.033 0.445 . . . . 1.18 110.183 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -69.06 -42.62 76.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.691 -0.686 . . . . 0.83 110.983 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 104' ' ' GLU . 19.7 t -71.21 -44.63 73.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 N-CA-C 112.427 0.528 . . . . 0.53 112.427 -178.572 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.66 -40.12 86.67 Favored 'General case' 0 C--O 1.237 0.406 0 CA-C-O 120.901 0.382 . . . . 0.86 111.217 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 9.9 m -72.19 -23.55 61.28 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.031 -0.531 . . . . 0.67 110.237 179.141 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -78.07 -44.69 25.62 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.215 -0.448 . . . . 0.88 110.435 179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . 0.431 ' O ' HD22 ' A' ' 18' ' ' LEU . 59.7 mt -63.72 -33.46 75.7 Favored 'General case' 0 CA--C 1.519 -0.226 0 CA-C-N 115.989 -0.551 . . . . 0.93 110.431 179.25 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 90.33 35.06 7.66 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.604 -0.808 . . . . 0.89 111.554 -179.578 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -88.63 166.36 14.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.676 0.274 . . . . 1.61 110.656 -179.283 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.79 78.33 6.9 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.354 -0.61 . . . . 1.18 109.354 179.56 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.412 ' HG ' ' CB ' ' A' ' 120' ' ' GLU . 4.2 tp -150.63 117.33 5.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.063 -0.517 . . . . 1.27 109.968 -179.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -90.91 -175.88 4.48 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 110.228 -0.286 . . . . 1.04 110.228 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -60.69 -44.06 97.0 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.727 0.299 . . . . 1.38 111.596 -178.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.08 -32.01 73.5 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.116 0.484 . . . . 2.33 110.497 179.371 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.412 ' CB ' ' HG ' ' A' ' 116' ' ' LEU . 30.9 mm-40 -72.43 -41.34 66.27 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.362 -0.835 . . . . 1.86 109.647 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.528 HG13 HD23 ' A' ' 105' ' ' LEU . 24.5 t -58.94 -41.9 84.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.39 -0.823 . . . . 0.76 110.439 179.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.97 -42.16 73.53 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.855 0.359 . . . . 0.96 110.198 179.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -58.52 -46.34 86.97 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 121.198 0.523 . . . . 1.2 110.15 179.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.754 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 19.6 ttt -70.8 -34.88 72.21 Favored 'General case' 0 C--O 1.215 -0.723 0 CA-C-N 115.267 -0.879 . . . . 0.76 110.417 179.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -55.98 -31.54 31.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.999 0.428 . . . . 0.92 111.161 179.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . . . . . . . . . 27.1 mtm105 -86.77 16.03 5.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.075 0.398 . . . . 0.94 112.075 -179.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.596 ' OE1' ' HG3' ' A' ' 124' ' ' MET . 11.1 pt-20 -76.58 -48.05 20.5 Favored 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.367 -0.533 . . . . 2.04 110.388 179.433 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.466 ' N ' ' HG3' ' A' ' 127' ' ' GLU . . . -101.89 0.01 34.75 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.181 0.515 . . . . 0.96 110.5 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -75.2 91.87 2.66 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.467 -0.788 . . . . 0.87 109.929 179.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 24.5 mm -78.47 -34.88 18.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.545 -0.752 . . . . 1.01 111.745 -177.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.0 p30 -81.37 -36.31 29.76 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.146 -0.479 . . . . 1.02 111.127 -179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 91.04 36.1 6.83 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.96 -0.638 . . . . 0.94 111.806 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 18.7 p-10 -95.96 -14.09 23.33 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.955 0.407 . . . . 0.95 110.61 -179.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.77 12.02 61.18 Favored Glycine 0 N--CA 1.45 -0.42 0 CA-C-N 115.846 -0.616 . . . . 0.84 112.339 179.402 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.66 ' HA ' ' O ' ' A' ' 100' ' ' ILE . 65.8 mt-30 -134.65 116.66 15.21 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.81 -0.195 . . . . 1.26 110.933 -179.288 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 95.1 t -83.29 112.52 21.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 N-CA-C 109.003 -0.739 . . . . 0.69 109.003 178.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 15.1 p30 -90.25 -179.17 5.57 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.765 0.317 . . . . 0.97 110.411 179.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.401 ' O ' HG23 ' A' ' 142' ' ' VAL . 4.1 t80 -59.89 -51.92 67.64 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.568 0.581 . . . . 1.35 112.568 -178.562 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -58.69 -38.66 78.74 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 120.954 0.407 . . . . 2.6 110.817 -179.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.599 ' O ' ' HB2' ' A' ' 144' ' ' MET . 49.8 mt-10 -64.43 -41.87 96.35 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.974 -0.557 . . . . 0.66 110.593 179.398 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.504 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 25.7 t80 -73.26 -38.71 65.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.231 -0.441 . . . . 0.88 111.514 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.539 HG22 HG21 ' A' ' 85' ' ' ILE . 71.7 t -64.81 -48.42 84.49 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.425 0 CA-C-O 121.095 0.474 . . . . 0.7 111.013 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -73.19 -6.02 43.11 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.261 -0.427 . . . . 1.5 111.899 -178.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.599 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 3.1 tmm? -107.18 -36.66 6.5 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 112.5 0.556 . . . . 0.89 112.5 -178.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 2.0 ttp -104.47 -29.34 10.76 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 121.793 -0.567 . . . . 1.47 111.972 -178.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 4.1 m -97.46 -1.21 44.7 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.582 0.706 . . . . 1.07 110.744 -179.763 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.704 0 CA-C-N 115.859 -0.61 . . . . 1.33 110.608 -179.8 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.653 ' SD ' HG13 ' A' ' 55' ' ' VAL . 1.1 tpt . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 121.428 0.632 . . . . 2.55 109.924 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.8 -63.19 1.19 Allowed 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 114.605 -1.179 . . . . 1.88 112.11 -178.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.71 ' SG ' HD21 ' A' ' 32' ' ' LEU . 83.3 m -55.86 -29.09 59.34 Favored 'General case' 0 CA--C 1.547 0.829 0 CA-C-N 115.737 -0.665 . . . . 0.64 112.691 -179.184 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.788 HD13 ' HG2' ' A' ' 71' ' ' MET . 6.8 tp -82.15 -38.33 24.86 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 121.861 -0.524 . . . . 1.25 109.74 178.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.813 ' SG ' HG21 ' A' ' 91' ' ' VAL . 2.4 p -65.2 -27.99 69.07 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 108.067 -1.086 . . . . 0.61 108.067 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.715 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.3 OUTLIER -64.17 -43.73 97.41 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.482 0 N-CA-C 107.339 -1.356 . . . . 0.62 107.339 176.595 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 3' ' ' CYS . 20.3 t -64.17 -40.36 88.79 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.199 0 CA-C-N 115.66 -0.7 . . . . 0.57 109.419 177.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . . . . . . . . . 2.1 m -64.61 -42.16 95.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.013 0.435 . . . . 0.63 110.04 178.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.454 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 57.8 m -62.19 -36.24 81.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.735 -0.666 . . . . 0.83 110.032 179.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.404 ' O ' ' HB2' ' B' ' 14' ' ' TYR . 0.1 OUTLIER -76.95 -30.34 55.99 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.185 -0.462 . . . . 2.03 110.427 179.336 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 12.8 tmtt? -74.05 -40.22 62.99 Favored 'General case' 0 C--N 1.331 -0.224 0 N-CA-C 108.915 -0.772 . . . . 1.32 108.915 178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.504 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 93.1 t80 -66.9 -45.54 77.66 Favored 'General case' 0 C--O 1.225 -0.231 0 N-CA-C 108.732 -0.84 . . . . 1.21 108.732 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.754 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 2.3 ttp85 -65.56 -23.3 66.82 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.089 -0.505 . . . . 3.1 110.552 179.354 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . 0.404 ' HB2' ' O ' ' B' ' 10' ' ' LYS . 11.7 t80 -81.88 -22.22 37.0 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.568 -0.531 . . . . 1.47 109.568 178.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp60 -71.71 -36.83 70.65 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 108.545 -0.909 . . . . 1.41 108.545 177.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -55.28 -42.38 73.51 Favored 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.66 -0.7 . . . . 2.65 109.917 177.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -88.52 80.18 7.43 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.339 -0.846 . . . . 4.01 108.866 179.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -152.69 -28.73 0.15 Allowed 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.828 -1.078 . . . . 3.44 110.027 -178.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.247 0.961 0 CA-C-N 115.141 -0.936 . . . . 4.48 110.097 179.473 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.437 HD22 ' SD ' ' A' ' 72' ' ' MET . 52.1 tp . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 109.379 -0.6 . . . . 1.71 109.379 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.756 ' HB ' ' OE1' ' A' ' 7' ' ' GLU . 0.1 OUTLIER -80.76 154.16 27.38 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-O 120.938 0.399 . . . . 1.25 111.915 -179.307 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -64.99 -43.94 90.93 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 113.417 0.895 . . . . 1.97 113.417 -177.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.756 ' OE1' ' HB ' ' A' ' 5' ' ' THR . 0.0 OUTLIER -61.92 -36.93 82.83 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.18 -0.608 . . . . 1.98 109.63 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . 0.412 ' HG3' ' HE2' ' B' ' 10' ' ' LYS . 0.1 OUTLIER -63.47 -48.38 77.89 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.471 -0.566 . . . . 1.62 109.471 177.385 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.7 mm -51.38 -43.5 30.05 Favored 'Isoleucine or valine' 0 C--O 1.234 0.266 0 CA-C-O 121.291 0.567 . . . . 1.13 109.588 176.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -65.07 -38.49 90.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.169 -0.923 . . . . 0.74 110.478 179.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -66.22 -53.38 37.79 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.223 -0.444 . . . . 1.57 110.51 178.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -59.94 -28.85 67.98 Favored 'General case' 0 CA--C 1.52 -0.181 0 CA-C-N 116.315 -0.402 . . . . 1.85 111.214 -179.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 20.9 ttpt -58.27 -38.13 76.33 Favored 'General case' 0 CA--C 1.538 0.487 0 N-CA-C 109.268 -0.641 . . . . 1.5 109.268 177.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -70.21 -34.13 72.54 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 116.012 -0.54 . . . . 1.64 110.198 178.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.415 ' HB1' HG21 ' B' ' 6' ' ' ILE . . . -62.94 -44.69 95.38 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 108.818 -0.808 . . . . 0.51 108.818 178.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -59.46 -38.03 79.72 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.231 -0.655 . . . . 1.23 109.231 177.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 39.2 m -67.89 -22.07 65.11 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 115.481 -0.782 . . . . 0.77 111.78 -179.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.412 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.6 pp -96.64 -36.23 10.78 Favored 'General case' 0 N--CA 1.449 -0.483 0 C-N-CA 119.606 -0.837 . . . . 1.43 110.737 178.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.738 ' CZ ' ' HA ' ' B' ' 3' ' ' CYS . 11.4 m-85 -68.68 -45.83 70.64 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-O 121.067 0.46 . . . . 0.56 110.326 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.98 133.6 36.19 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.899 -0.591 . . . . 0.54 110.44 -179.449 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 mmtm -129.21 -5.79 4.88 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.036 -0.529 . . . . 0.73 111.525 -179.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 6.4 p30 -100.06 -18.63 16.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.736 0.303 . . . . 0.57 111.599 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.09 12.63 67.7 Favored Glycine 0 N--CA 1.445 -0.726 0 C-N-CA 120.82 -0.705 . . . . 0.59 112.59 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -23.85 29.32 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.951 -0.389 . . . . 0.58 109.951 179.394 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 91.73 -3.5 78.16 Favored Glycine 0 C--N 1.335 0.482 0 C-N-CA 121.022 -0.609 . . . . 0.74 113.932 177.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -113.4 152.16 30.39 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 116.888 0.344 . . . . 0.47 110.388 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.734 HG21 HG13 ' A' ' 63' ' ' ILE . 1.3 mp -83.59 121.27 36.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.183 -0.462 . . . . 0.41 111.527 -179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 63.6 p -103.42 173.72 6.18 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.392 -0.595 . . . . 0.41 109.392 177.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.417 HG22 ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -76.86 -31.55 56.9 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-O 121.429 0.633 . . . . 0.6 109.472 179.678 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -76.74 -29.78 56.31 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 115.371 -0.831 . . . . 2.22 111.947 -178.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 23.6 mt-10 -71.72 -57.69 4.14 Favored 'General case' 0 N--CA 1.441 -0.888 0 O-C-N 121.555 -0.716 . . . . 0.42 110.329 -177.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.814 HD21 ' SG ' ' B' ' 3' ' ' CYS . 7.4 mp -59.8 -33.61 71.95 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.15 -0.477 . . . . 0.5 110.566 179.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.72 -36.04 77.12 Favored Glycine 0 C--N 1.337 0.614 0 C-N-CA 121.168 -0.539 . . . . 0.5 112.522 179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -62.22 -39.1 91.68 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.658 0.266 . . . . 0.6 111.155 179.366 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 28.8 t -66.95 -44.09 88.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.838 0.352 . . . . 0.63 110.065 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 17.3 mtm -63.69 -18.83 64.4 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.491 0.662 . . . . 1.07 110.743 179.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -85.53 -42.17 14.65 Favored 'General case' 0 N--CA 1.449 -0.519 0 CA-C-N 115.576 -0.738 . . . . 1.82 110.127 -179.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 4.2 m -72.46 -8.61 55.97 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.8 111.393 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.9 mt -87.34 -3.55 59.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.071 0.462 . . . . 0.86 109.984 178.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 91.78 31.55 9.26 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.929 -0.653 . . . . 0.89 112.852 179.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -133.33 153.91 51.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 120.767 0.317 . . . . 1.25 110.195 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -124.95 92.19 48.06 Favored Pre-proline 0 C--N 1.323 -0.577 0 CA-C-N 116.289 -0.414 . . . . 1.37 110.469 179.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 19.9 Cg_endo -91.36 132.04 1.41 Allowed 'Trans proline' 0 N--CA 1.447 -1.231 0 C-N-CA 123.297 2.665 . . . . 0.74 111.193 178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 p -89.7 -176.2 4.9 Favored 'General case' 0 C--N 1.315 -0.93 0 C-N-CA 120.96 -0.296 . . . . 1.04 110.695 -179.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -46.27 -44.94 16.93 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.684 0.794 . . . . 2.18 113.135 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.0 -38.23 79.16 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 111.952 0.353 . . . . 0.63 111.952 -178.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -71.29 -41.34 70.08 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.912 -0.403 . . . . 1.57 109.912 -179.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.44 ' O ' HG12 ' A' ' 52' ' ' ILE . 31.8 mt -63.06 -25.47 68.39 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-N 115.881 -0.6 . . . . 0.64 111.912 -179.675 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.6 tp-100 -89.68 -38.92 13.53 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 109.723 -0.473 . . . . 1.26 109.723 -179.707 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -56.71 -42.47 79.2 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.125 -0.943 . . . . 1.38 109.451 179.268 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 6.5 mmt -58.09 -47.25 83.77 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.376 -0.829 . . . . 1.38 110.933 178.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.44 HG12 ' O ' ' A' ' 48' ' ' LEU . 30.3 mm -69.7 -40.26 79.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.458 -0.792 . . . . 0.48 110.866 -179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -57.52 -32.13 66.75 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 116.559 -0.291 . . . . 1.4 111.437 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -64.37 -18.58 64.8 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-N 116.598 -0.274 . . . . 2.84 111.538 179.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 57.3 t -110.3 -34.8 2.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.271 0.557 . . . . 0.82 110.305 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 3.0 t70 -67.13 126.09 28.1 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.308 -0.86 . . . . 0.55 111.108 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -124.34 -20.49 5.2 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-N 115.696 -0.684 . . . . 0.68 110.4 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -79.91 -16.4 55.39 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.812 -0.631 . . . . 0.74 111.284 -179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 80.36 53.67 4.04 Favored Glycine 0 C--N 1.329 0.145 0 C-N-CA 120.751 -0.738 . . . . 0.9 112.285 178.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -130.9 -27.7 2.05 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-O 120.748 0.309 . . . . 0.6 110.323 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.437 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 82.23 52.25 4.09 Favored Glycine 0 N--CA 1.451 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.52 112.734 179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.628 HG23 ' O ' ' A' ' 27' ' ' ILE . 41.5 m -163.84 134.34 4.36 Favored 'General case' 0 C--O 1.236 0.371 0 C-N-CA 122.312 0.245 . . . . 0.57 110.696 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.734 HG13 HG21 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -75.43 84.48 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.345 0.379 0 N-CA-C 108.841 -0.8 . . . . 0.46 108.841 178.061 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.3 p30 -83.55 176.08 9.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.974 -0.557 . . . . 0.52 110.134 -179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.49 -51.19 53.1 Favored Pre-proline 0 CA--C 1.535 0.39 0 N-CA-C 112.592 0.59 . . . . 1.15 112.592 -178.4 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_exo -50.03 -47.48 23.52 Favored 'Trans proline' 0 C--N 1.356 0.938 0 C-N-CA 121.916 1.744 . . . . 0.63 112.225 178.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 85.4 mt-10 -72.74 -30.94 64.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.561 -0.29 . . . . 0.51 110.65 178.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.521 ' O ' ' HB2' ' A' ' 72' ' ' MET . 33.9 t80 -61.16 -38.55 86.87 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.406 -0.59 . . . . 1.44 109.406 -179.418 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.2 mt -69.33 -54.89 12.27 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.706 -0.679 . . . . 0.89 110.263 179.181 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 4.5 m -56.77 -51.33 69.32 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 116.015 -0.539 . . . . 0.74 111.047 -179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.761 ' CG ' HD22 ' B' ' 4' ' ' LEU . 1.6 ttp -60.27 -39.88 88.41 Favored 'General case' 0 C--N 1.32 -0.698 0 O-C-N 124.387 1.054 . . . . 0.71 110.41 179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.521 ' HB2' ' O ' ' A' ' 68' ' ' PHE . 10.4 ttm -64.03 -46.04 86.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.386 -0.37 . . . . 1.69 110.678 -179.312 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -61.16 -29.72 69.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.12 0.486 . . . . 0.63 110.801 179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 6.9 ttm180 -67.59 -19.64 65.27 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.802 -0.636 . . . . 1.45 110.936 178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.494 ' HE3' ' CD1' ' B' ' 4' ' ' LEU . 0.1 OUTLIER -114.91 -14.49 11.89 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-O 120.655 0.264 . . . . 0.86 111.276 179.187 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 7.5 ttm -55.13 -47.67 74.72 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 109.34 -0.615 . . . . 1.68 109.34 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 36.7 mtmt -123.44 56.73 1.18 Allowed 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.276 -0.875 . . . . 1.95 109.337 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -55.61 105.14 0.16 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.397 0.618 . . . . 1.41 110.825 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.7 p -131.5 5.54 4.37 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.097 -0.956 . . . . 1.45 109.039 179.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -132.0 43.06 3.08 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.161 -1.381 . . . . 1.78 108.114 -179.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.45 ' HB3' ' HB ' ' A' ' 85' ' ' ILE . 0.6 OUTLIER -62.15 80.99 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 114.212 -1.358 . . . . 1.1 114.354 -178.052 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -96.7 -73.39 0.6 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 108.921 -0.77 . . . . 1.86 108.921 177.258 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.71 -22.01 18.99 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 108.544 -0.91 . . . . 2.7 108.544 178.555 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -57.84 -51.15 70.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 114.642 -1.163 . . . . 1.27 111.309 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.47 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 1.3 tp -64.14 -29.35 47.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.038 -0.528 . . . . 1.5 110.658 -179.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -70.77 -43.95 67.7 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-N 116.007 -0.542 . . . . 2.57 109.791 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' O ' HG23 ' A' ' 91' ' ' VAL . 0.0 OUTLIER -54.04 -55.52 26.6 Favored 'General case' 0 CA--C 1.519 -0.216 0 CA-C-N 116.165 -0.47 . . . . 1.47 111.981 178.627 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.3 -24.52 65.76 Favored 'General case' 0 N--CA 1.452 -0.359 0 CA-C-O 120.542 0.21 . . . . 0.41 111.392 -179.173 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.47 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.6 t80 -72.51 -32.89 66.52 Favored 'General case' 0 C--N 1.318 -0.798 0 N-CA-C 109.208 -0.664 . . . . 0.75 109.208 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -83.1 -29.21 28.9 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.583 -0.735 . . . . 2.35 111.966 -179.243 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.6 HG21 ' SG ' ' B' ' 5' ' ' CYS . 78.1 t -72.81 -30.67 33.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 120.938 0.399 . . . . 0.47 110.146 179.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.43 ' HZ ' HG23 ' B' ' 9' ' ' THR . 13.1 m-85 -88.6 -40.09 13.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.17 -0.468 . . . . 0.47 110.682 179.751 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -87.43 94.32 9.66 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 109.43 -0.581 . . . . 0.8 109.43 179.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -87.4 -20.07 27.2 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.866 -0.606 . . . . 1.7 111.671 -178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.7 p30 -80.36 -18.84 47.9 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.198 -0.601 . . . . 0.67 110.763 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 74.63 29.22 61.82 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.983 -0.627 . . . . 0.72 112.374 178.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -97.78 -20.34 17.62 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-O 120.43 0.157 . . . . 0.72 111.321 -178.292 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 96.43 1.28 60.72 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.623 -0.798 . . . . 0.58 113.592 178.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.508 ' HB2' HD21 ' A' ' 97' ' ' ASN . 39.3 m-85 -126.81 111.19 13.91 Favored 'General case' 0 C--O 1.24 0.573 0 O-C-N 122.348 -0.501 . . . . 1.57 111.182 179.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 52.6 mt -83.92 146.29 7.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.629 -0.714 . . . . 0.69 110.499 -179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 103' ' ' ALA . 97.5 p -159.01 -174.03 4.54 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.809 -0.178 . . . . 1.14 110.538 -179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.77 4.36 1.15 Allowed 'General case' 0 N--CA 1.474 0.732 0 CA-C-O 121.942 0.877 . . . . 1.3 110.916 178.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.473 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -79.55 -74.28 0.3 Allowed 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.053 -1.431 . . . . 0.93 109.917 179.634 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -79.46 -30.55 42.21 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.859 -0.609 . . . . 0.83 112.413 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.41 HD23 HG12 ' A' ' 125' ' ' ILE . 46.1 tp -61.05 -34.4 74.82 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.1 0.476 . . . . 0.63 110.619 -179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -65.63 -38.83 90.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.796 -0.638 . . . . 1.18 109.854 179.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -65.47 -54.89 21.96 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 115.967 -0.56 . . . . 0.83 111.449 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 12.6 t -61.95 -40.9 88.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 N-CA-C 111.872 0.323 . . . . 0.53 111.872 -178.542 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.94 -39.29 88.9 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.038 0.446 . . . . 0.86 110.783 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 24.6 m -77.65 -32.21 53.12 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.523 -0.762 . . . . 0.67 110.551 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 2.4 t-20 -70.14 -39.87 75.14 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.577 -0.738 . . . . 0.88 110.485 -179.229 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 52.8 mt -64.08 -33.16 75.13 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 121.364 0.602 . . . . 0.93 109.693 178.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 95.97 38.06 4.73 Favored Glycine 0 N--CA 1.445 -0.738 0 CA-C-N 115.247 -0.888 . . . . 0.89 112.993 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -85.6 170.85 12.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 117.174 0.487 . . . . 1.61 110.184 179.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 8.8 mttp -87.75 12.68 12.25 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.16 -0.473 . . . . 1.18 111.121 -179.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.7 mp -83.28 111.89 19.38 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.24 0.543 . . . . 1.27 110.907 179.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -80.7 -176.51 5.84 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.688 -0.687 . . . . 1.04 110.134 178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -54.85 -52.33 63.1 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 112.601 0.593 . . . . 1.38 112.601 -178.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.15 -29.77 69.57 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 121.143 -0.223 . . . . 2.33 110.717 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -66.8 -32.95 74.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 1.86 109.848 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.5 t -68.45 -40.96 82.97 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 115.603 -0.726 . . . . 0.76 109.566 178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -70.88 -38.2 73.05 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 116.081 -0.508 . . . . 0.96 110.051 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.446 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 4.1 tp10 -63.17 -50.92 68.45 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.143 -0.48 . . . . 1.2 110.959 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.689 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 15.2 ttt -65.84 -36.61 83.94 Favored 'General case' 0 C--O 1.22 -0.482 0 CA-C-N 116.501 -0.318 . . . . 0.76 110.723 -179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.41 HG12 HD23 ' A' ' 105' ' ' LEU . 0.4 OUTLIER -49.72 -27.13 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 N-CA-C 112.815 0.672 . . . . 0.92 112.815 -179.495 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.446 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 14.3 mtm105 -88.2 18.29 4.47 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 113.385 0.883 . . . . 0.94 113.385 -178.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.35 -40.5 17.82 Favored 'General case' 0 N--CA 1.444 -0.742 0 N-CA-C 109.489 -0.56 . . . . 2.04 109.489 178.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -96.98 -12.8 22.88 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.49 -0.777 . . . . 0.96 111.181 179.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -77.6 105.01 8.48 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.133 0.492 . . . . 0.87 110.574 -179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 4.3 mm -109.28 -1.82 9.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 115.854 -0.612 . . . . 1.01 110.481 -179.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -103.78 -28.36 11.69 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.0 -0.545 . . . . 1.02 111.402 -179.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 88.87 48.42 3.88 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.622 -0.799 . . . . 0.94 112.645 178.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -126.8 -12.56 5.95 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.653 0.263 . . . . 0.95 111.384 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.03 13.76 82.67 Favored Glycine 0 CA--C 1.519 0.329 0 C-N-CA 120.997 -0.621 . . . . 0.84 113.036 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 52.4 mt-30 -129.34 113.52 15.07 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.712 -0.477 . . . . 1.26 109.712 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 83.3 t -81.39 106.74 12.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-N 116.175 -0.466 . . . . 0.69 110.433 -179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -85.1 179.73 7.2 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.97 -0.292 . . . . 0.97 110.873 179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.404 ' O ' HG23 ' A' ' 142' ' ' VAL . 0.8 OUTLIER -53.14 -55.41 24.3 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 115.838 -0.619 . . . . 1.35 111.482 -179.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.1 mp0 -52.99 -47.54 68.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.334 -0.394 . . . . 2.6 111.754 -179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . 0.552 ' O ' ' HB2' ' A' ' 144' ' ' MET . 48.0 mt-10 -64.39 -38.3 90.53 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.955 -0.566 . . . . 0.66 111.306 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.521 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 5.2 t80 -71.72 -42.27 67.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.75 0.309 . . . . 0.88 110.528 -179.247 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 138' ' ' TYR . 99.5 t -66.88 -48.83 78.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 CA-C-N 116.381 -0.372 . . . . 0.7 111.563 179.047 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -65.99 -4.8 7.76 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 120.885 0.374 . . . . 1.5 111.456 179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.552 ' HB2' ' O ' ' A' ' 140' ' ' GLU . 0.1 OUTLIER -110.92 -38.4 5.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.249 -0.432 . . . . 0.89 111.529 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.658 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -80.54 -48.23 13.04 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.621 -0.263 . . . . 1.47 111.208 -179.543 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.7 m -74.13 -32.24 63.09 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.133 0.492 . . . . 1.07 111.149 -179.25 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 CA-C-N 116.104 -0.498 . . . . 1.33 110.756 179.709 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . . . . . . . . . 2.2 tpt . . . . . 0 N--CA 1.485 1.316 0 CA-C-O 121.402 0.62 . . . . 2.55 109.491 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -49.86 -57.1 8.11 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 114.686 -1.143 . . . . 1.88 111.777 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.814 ' SG ' HD21 ' A' ' 32' ' ' LEU . 65.5 m -60.31 -33.04 71.82 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-N 115.947 -0.569 . . . . 0.64 111.43 -179.691 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.761 HD22 ' CG ' ' A' ' 71' ' ' MET . 2.1 tp -77.02 -39.34 50.55 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.797 -0.183 . . . . 1.25 110.722 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.6 ' SG ' HG21 ' A' ' 91' ' ' VAL . 16.0 p -66.13 -23.66 66.53 Favored 'General case' 0 CA--C 1.514 -0.414 0 N-CA-C 108.734 -0.839 . . . . 0.61 108.734 178.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.722 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.5 OUTLIER -69.01 -42.62 82.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 N-CA-C 107.185 -1.413 . . . . 0.62 107.185 176.097 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.576 HG23 ' O ' ' B' ' 3' ' ' CYS . 14.5 t -61.71 -40.36 86.51 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-N 115.791 -0.64 . . . . 0.57 109.645 177.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.658 HG22 ' SD ' ' A' ' 145' ' ' MET . 0.9 OUTLIER -67.57 -45.77 74.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.857 -0.61 . . . . 0.63 110.003 178.273 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.43 HG23 ' HZ ' ' A' ' 92' ' ' PHE . 90.8 m -60.63 -37.03 80.1 Favored 'General case' 0 N--CA 1.451 -0.381 0 N-CA-C 109.322 -0.622 . . . . 0.83 109.322 178.765 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HG3' ' A' ' 8' ' ' GLN . 0.0 OUTLIER -67.4 -39.18 85.54 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.696 -0.684 . . . . 2.03 110.464 179.53 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 7.4 tmtt? -69.71 -43.3 72.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.19 -0.459 . . . . 1.32 109.847 179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.521 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.0 t80 -64.66 -41.11 96.34 Favored 'General case' 0 C--O 1.222 -0.354 0 CA-C-N 115.787 -0.642 . . . . 1.21 109.596 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.689 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 0.1 OUTLIER -70.79 -25.22 62.78 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.298 -0.864 . . . . 3.1 110.793 179.523 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -80.87 -25.19 37.83 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.278 -0.638 . . . . 1.47 109.278 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -71.14 -18.11 62.52 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 115.54 -0.755 . . . . 1.41 109.704 179.554 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -65.14 -26.96 68.41 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.73 -0.841 . . . . 2.65 108.73 177.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -78.5 76.44 5.0 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 114.713 -1.13 . . . . 4.01 109.492 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -144.55 -67.19 0.33 Allowed 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 112.351 0.5 . . . . 3.44 112.351 -178.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.245 0.867 0 CA-C-O 119.033 -0.508 . . . . 4.48 112.175 -177.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.475 ' HG ' ' N ' ' A' ' 5' ' ' THR . 14.2 tp . . . . . 0 N--CA 1.477 0.92 0 CA-C-O 120.607 0.241 . . . . 1.71 110.79 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.475 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.7 OUTLIER -70.22 141.98 52.45 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.949 -0.569 . . . . 1.25 110.178 178.689 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -60.83 -37.64 82.72 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.206 -0.452 . . . . 1.97 111.321 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 2.2 mp0 -57.06 -50.77 71.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 1.98 110.176 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -62.78 -48.04 80.87 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.549 -0.75 . . . . 1.62 110.304 179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 20.4 mm -50.19 -44.74 23.24 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.338 0 CA-C-O 120.938 0.399 . . . . 1.13 110.308 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.527 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -62.08 -41.15 97.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.692 -0.685 . . . . 0.74 110.835 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.454 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 50.2 mt-10 -66.26 -43.48 86.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.517 -0.31 . . . . 1.57 110.628 179.156 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -60.19 -30.55 69.42 Favored 'General case' 0 C--O 1.233 0.189 0 CA-C-O 120.799 0.333 . . . . 1.85 110.58 178.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.527 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 20.0 ttpt -57.75 -38.67 75.78 Favored 'General case' 0 C--O 1.234 0.284 0 N-CA-C 109.245 -0.65 . . . . 1.5 109.245 176.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.438 ' OE2' ' HA ' ' A' ' 11' ' ' GLU . 30.1 mt-10 -69.17 -38.8 78.89 Favored 'General case' 0 C--O 1.232 0.164 0 CA-C-N 115.443 -0.799 . . . . 1.64 109.202 178.175 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.91 -47.29 86.39 Favored 'General case' 0 N--CA 1.454 -0.227 0 CA-C-N 115.623 -0.717 . . . . 0.51 109.611 178.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -57.51 -42.9 83.69 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.206 -0.452 . . . . 1.23 110.274 177.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.6 m -65.99 -14.31 61.4 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.326 0.584 . . . . 0.77 110.253 -179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.6 tp -94.03 -53.8 3.84 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-N 115.548 -0.751 . . . . 1.43 110.803 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.757 ' CE2' HD12 ' B' ' 6' ' ' ILE . 33.1 m-85 -64.01 -41.58 97.42 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.906 0.384 . . . . 0.56 111.181 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -79.92 133.38 36.21 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.94 -0.573 . . . . 0.54 110.783 -179.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.0 mmtm -129.91 19.1 5.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.388 -0.369 . . . . 0.73 111.154 -179.412 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.1 p30 -126.6 -23.99 3.66 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 120.865 -0.334 . . . . 0.57 111.786 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.05 3.95 57.79 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.984 -0.627 . . . . 0.59 113.174 179.239 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -80.49 -38.55 29.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 122.769 -0.254 . . . . 0.58 110.873 -179.655 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.71 -23.76 23.35 Favored Glycine 0 CA--C 1.52 0.362 0 C-N-CA 120.674 -0.774 . . . . 0.74 113.551 178.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 2.0 m -89.55 138.54 31.37 Favored 'General case' 0 C--O 1.241 0.629 0 CA-C-O 121.038 0.447 . . . . 0.47 110.708 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.509 HG21 HD12 ' A' ' 63' ' ' ILE . 1.1 mp -76.82 124.77 35.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.42 -0.809 . . . . 0.41 110.924 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.1 p -112.56 -178.91 3.52 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 108.895 -0.78 . . . . 0.41 108.895 177.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -86.22 -31.73 21.56 Favored 'General case' 0 C--N 1.314 -0.936 0 CA-C-O 121.018 0.437 . . . . 0.6 111.179 -179.082 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.1 tttt -75.19 -19.22 59.93 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.169 -0.469 . . . . 2.22 111.095 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.519 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 43.8 mt-10 -82.83 -53.89 5.52 Favored 'General case' 0 C--N 1.328 -0.328 0 O-C-N 123.457 0.473 . . . . 0.42 110.329 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.732 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.4 mp -63.73 -31.92 73.25 Favored 'General case' 0 N--CA 1.466 0.356 0 O-C-N 123.433 0.458 . . . . 0.5 111.044 -179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.77 -31.23 71.04 Favored Glycine 0 C--N 1.338 0.647 0 C-N-CA 121.0 -0.619 . . . . 0.5 112.618 179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.565 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.2 OUTLIER -61.67 -42.54 99.06 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.63 0.252 . . . . 0.6 110.939 179.425 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.431 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 39.6 t -61.49 -46.58 96.29 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.084 0 O-C-N 122.262 -0.273 . . . . 0.63 111.251 178.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.579 ' SD ' ' HG3' ' A' ' 43' ' ' PRO . 32.0 ttm -65.06 -15.34 62.24 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 121.147 0.499 . . . . 1.07 110.702 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.565 ' HB3' ' O ' ' A' ' 34' ' ' THR . 13.1 ttp180 -77.2 -44.08 31.4 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.58 -0.737 . . . . 1.82 109.221 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.5 m -69.06 -13.87 62.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.64 -0.709 . . . . 0.8 111.242 179.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 84.2 mt -85.14 4.36 34.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.998 -0.546 . . . . 0.86 110.444 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.49 24.42 67.97 Favored Glycine 0 N--CA 1.444 -0.797 0 CA-C-N 115.698 -0.683 . . . . 0.89 112.319 179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -124.88 168.0 13.87 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 109.154 -0.684 . . . . 1.25 109.154 179.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -158.34 94.09 1.97 Allowed Pre-proline 0 C--N 1.325 -0.46 0 C-N-CA 120.65 -0.42 . . . . 1.37 112.068 -179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.579 ' HG3' ' SD ' ' A' ' 36' ' ' MET . 60.0 Cg_endo -84.5 149.8 11.57 Favored 'Trans proline' 0 N--CA 1.452 -0.944 0 C-N-CA 122.562 2.175 . . . . 0.74 112.361 177.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 35.2 p -90.34 179.06 5.97 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.885 -0.598 . . . . 1.04 109.65 178.681 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -45.88 -59.26 2.92 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 112.044 0.387 . . . . 2.18 112.044 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -51.19 -39.87 57.4 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 112.543 0.572 . . . . 0.63 112.543 -179.548 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -77.34 -41.62 39.73 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.567 -0.288 . . . . 1.57 111.256 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 17.4 mt -61.21 -34.68 75.5 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.235 -0.439 . . . . 0.64 111.134 179.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -82.85 -33.7 27.03 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.36 -0.608 . . . . 1.26 109.36 -179.064 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -55.67 -42.58 75.29 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.082 -0.963 . . . . 1.38 109.782 178.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . . . . . . . . . 5.9 mmt -63.5 -39.83 95.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.101 -0.954 . . . . 1.38 110.078 178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 41.7 mm -66.18 -40.77 87.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.177 -0.465 . . . . 0.48 111.105 178.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -56.6 -26.94 56.94 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 123.523 0.515 . . . . 1.4 111.639 179.126 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -68.99 -21.11 64.17 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-O 120.898 0.38 . . . . 2.84 110.704 179.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 53.0 t -105.38 -43.9 7.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.104 0.478 . . . . 0.82 110.551 179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 7.3 t70 -67.34 122.16 17.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.835 -0.62 . . . . 0.55 111.603 -178.524 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -121.87 -11.13 8.6 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.845 0.355 . . . . 0.68 110.609 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.578 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -81.07 -27.0 35.86 Favored 'General case' 0 C--N 1.326 -0.45 0 C-N-CA 120.665 -0.414 . . . . 0.74 110.161 179.597 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 97.63 21.89 17.86 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.829 -0.7 . . . . 0.9 112.719 179.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.585 HD21 ' HB ' ' A' ' 62' ' ' THR . 0.1 OUTLIER -98.37 -28.95 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.001 0.429 . . . . 0.6 110.818 -179.792 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.435 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 83.66 45.19 6.52 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.653 -0.784 . . . . 0.52 112.534 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.585 ' HB ' HD21 ' A' ' 60' ' ' ASN . 99.4 m -158.31 128.3 5.98 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 122.851 -0.205 . . . . 0.57 110.601 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.509 HD12 HG21 ' A' ' 27' ' ' ILE . 10.9 mt -67.52 96.52 0.3 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 N-CA-C 108.602 -0.888 . . . . 0.46 108.602 178.205 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.515 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 1.8 p30 -100.78 -178.61 3.82 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.279 -0.419 . . . . 0.52 112.018 -177.806 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 3.9 t80 -68.38 -50.15 29.09 Favored Pre-proline 0 CA--C 1.531 0.247 0 CA-C-N 116.174 -0.466 . . . . 1.15 111.773 -179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_exo -51.72 -49.32 17.61 Favored 'Trans proline' 0 C--N 1.36 1.148 0 C-N-CA 121.608 1.538 . . . . 0.63 111.837 178.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -66.93 -31.54 72.2 Favored 'General case' 0 C--O 1.218 -0.556 0 CA-C-N 116.261 -0.427 . . . . 0.51 110.867 179.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.515 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 5.9 t80 -65.38 -37.04 85.81 Favored 'General case' 0 C--N 1.328 -0.358 0 O-C-N 123.541 0.526 . . . . 1.44 110.231 -178.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 96.4 mt -64.22 -56.88 11.57 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.009 -0.542 . . . . 0.89 110.382 179.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.8 m -64.93 -37.09 86.48 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 115.841 -0.618 . . . . 0.74 111.172 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.728 ' HG2' HD13 ' B' ' 4' ' ' LEU . 7.4 ttp -64.54 -45.37 87.44 Favored 'General case' 0 N--CA 1.454 -0.254 0 CA-C-N 116.362 -0.381 . . . . 0.71 110.707 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.426 ' SD ' HD22 ' A' ' 4' ' ' LEU . 25.7 ttm -65.33 -39.51 92.53 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.422 -0.354 . . . . 1.69 110.89 -179.39 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.71 85.18 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.655 -0.248 . . . . 0.63 111.018 179.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . 0.497 ' HD3' ' OE2' ' A' ' 84' ' ' GLU . 3.3 ttm180 -62.17 -37.09 83.91 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-N 116.282 -0.417 . . . . 1.45 110.464 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.539 ' CE ' ' HG ' ' B' ' 4' ' ' LEU . 2.8 tppt? -90.16 -10.09 45.8 Favored 'General case' 0 C--N 1.332 -0.174 0 C-N-CA 120.414 -0.514 . . . . 0.86 111.018 179.47 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . 0.559 ' SD ' ' HE2' ' A' ' 77' ' ' LYS . 25.0 ttm -66.76 -48.31 69.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.971 0.415 . . . . 1.68 110.208 179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.559 ' HE2' ' SD ' ' A' ' 76' ' ' MET . 43.8 mtmt -136.32 57.78 1.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.764 -0.653 . . . . 1.95 111.492 -179.328 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -72.59 136.62 45.8 Favored 'General case' 0 N--CA 1.465 0.291 0 N-CA-C 110.243 -0.28 . . . . 1.41 110.243 178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.9 p -137.17 20.13 2.98 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.643 0.735 . . . . 1.45 110.356 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -117.55 -46.76 2.66 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 114.97 -1.014 . . . . 1.78 108.695 179.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . . . . . . . . . 11.6 m 55.33 53.01 10.51 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 114.733 1.382 . . . . 1.1 114.733 176.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HB3' ' OE1' ' A' ' 83' ' ' GLU . 4.9 tp10 -83.83 -76.87 0.27 Allowed 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.035 -0.728 . . . . 1.86 109.035 177.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . 0.43 ' OE1' ' HB3' ' A' ' 82' ' ' GLU . 3.1 pm0 -90.79 -15.35 30.26 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.071 0.462 . . . . 2.7 110.621 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' OE2' ' HD3' ' A' ' 74' ' ' ARG . 15.2 mm-40 -57.46 -60.47 3.6 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.809 -0.632 . . . . 1.27 111.958 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.434 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 24.6 mt -64.52 -31.27 52.91 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.499 0 CA-C-N 115.381 -0.827 . . . . 1.5 110.974 -179.559 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -65.33 -51.46 60.45 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 2.57 110.776 -179.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.93 -50.34 70.99 Favored 'General case' 0 C--O 1.235 0.332 0 CA-C-N 115.975 -0.557 . . . . 1.47 112.456 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -68.49 -22.05 64.57 Favored 'General case' 0 N--CA 1.457 -0.099 0 O-C-N 121.871 -0.518 . . . . 0.41 111.36 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.434 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 0.3 OUTLIER -73.34 -41.48 63.41 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.059 -0.719 . . . . 0.75 109.059 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -74.22 -23.51 59.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.954 -0.566 . . . . 2.35 111.671 -179.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.689 HG11 ' SG ' ' B' ' 5' ' ' CYS . 63.0 t -80.48 -40.76 19.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 116.437 -0.347 . . . . 0.47 110.228 179.334 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -79.72 -42.47 24.57 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.54 -0.3 . . . . 0.47 110.791 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.63 85.61 6.0 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.219 0.533 . . . . 0.8 110.999 -179.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . . . . . . . . . 25.7 tttm -64.69 -26.62 68.46 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 115.183 -0.917 . . . . 1.7 111.714 -179.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.0 p30 -85.54 -24.73 27.15 Favored 'General case' 0 N--CA 1.463 0.206 0 C-N-CA 120.33 -0.548 . . . . 0.67 110.973 179.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 76.16 25.54 66.09 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.879 -0.677 . . . . 0.72 112.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.59 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -86.92 -23.62 25.1 Favored 'General case' 0 C--N 1.328 -0.354 0 O-C-N 122.591 -0.359 . . . . 0.72 111.317 -179.726 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 104.74 8.46 37.12 Favored Glycine 0 CA--C 1.519 0.341 0 C-N-CA 120.732 -0.747 . . . . 0.58 113.099 179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' HB2' HD21 ' A' ' 97' ' ' ASN . 20.4 m-85 -131.16 106.88 8.63 Favored 'General case' 0 C--O 1.239 0.542 0 O-C-N 122.754 -0.263 . . . . 1.57 110.618 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 24.1 mt -86.1 139.17 17.79 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.347 -0.388 . . . . 0.69 110.411 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.452 ' C ' ' H ' ' A' ' 103' ' ' ALA . 25.8 p -150.33 -175.84 5.24 Favored 'General case' 0 C--N 1.318 -0.766 0 N-CA-C 110.15 -0.315 . . . . 1.14 110.15 179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -67.04 -0.85 3.49 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 122.177 0.989 . . . . 1.3 110.075 178.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.452 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.25 -76.02 0.11 Allowed 'General case' 0 C--N 1.315 -0.916 0 CA-C-N 113.534 -1.666 . . . . 0.93 109.005 178.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.05 -31.71 50.45 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 113.6 0.963 . . . . 0.83 113.6 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.7 tp -60.31 -37.69 81.33 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-O 121.026 0.441 . . . . 0.63 111.248 -178.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 106' ' ' ARG . 27.7 ttm180 -59.54 -36.49 76.26 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.699 -0.682 . . . . 1.18 110.697 179.709 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -68.48 -47.59 66.66 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.814 -0.63 . . . . 0.83 110.945 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 48.4 t -63.79 -41.05 91.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 123.23 0.331 . . . . 0.53 110.589 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -56.49 -38.26 71.51 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.094 0.473 . . . . 0.86 111.026 179.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.5 m -80.43 -28.82 37.66 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.696 0.76 . . . . 0.67 110.785 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -70.8 -43.54 68.43 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.238 -0.892 . . . . 0.88 111.048 -179.678 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 17.5 mt -69.99 -33.33 71.91 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.18 0.514 . . . . 0.93 110.147 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 85.11 46.05 5.73 Favored Glycine 0 N--CA 1.446 -0.65 0 C-N-CA 120.815 -0.707 . . . . 0.89 112.605 179.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -83.15 -178.98 7.29 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.164 0.507 . . . . 1.61 110.324 179.76 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . . . . . . . . . 1.9 mttp -96.44 34.9 1.55 Allowed 'General case' 0 C--N 1.316 -0.849 0 CA-C-N 115.366 -0.833 . . . . 1.18 110.838 -179.254 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.8 mp -119.38 120.58 37.31 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.996 0.427 . . . . 1.27 111.615 -178.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . . . . . . . . . 2.8 p -89.18 -170.54 2.92 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.749 -0.659 . . . . 1.04 110.168 178.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -54.57 -56.95 13.68 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.31 0.485 . . . . 1.38 112.31 -178.684 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -56.49 -26.37 54.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.022 0.439 . . . . 2.33 111.274 -179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -75.7 -47.33 26.61 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.216 -0.447 . . . . 1.86 110.496 -179.72 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 61.9 t -56.42 -43.94 78.92 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 CA-C-O 121.454 0.645 . . . . 0.76 109.317 178.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -63.08 -45.4 92.29 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 114.931 -1.031 . . . . 0.96 110.544 179.258 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.555 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 17.8 tp10 -63.53 -44.56 93.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.843 -0.617 . . . . 1.2 111.053 -179.803 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.786 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.7 ttt -62.9 -45.7 91.26 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 115.996 -0.547 . . . . 0.76 111.527 -179.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -48.87 -25.99 1.46 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.427 0 N-CA-C 113.596 0.962 . . . . 0.92 113.596 -178.269 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.555 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 30.7 mtm105 -89.91 24.05 2.55 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 112.079 0.399 . . . . 0.94 112.079 -178.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.417 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.0 OUTLIER -92.19 -43.35 9.38 Favored 'General case' 0 C--O 1.235 0.307 0 CA-C-O 121.151 0.5 . . . . 2.04 109.88 178.922 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.645 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -103.4 -12.66 17.05 Favored 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.97 -0.559 . . . . 0.96 110.693 179.505 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -78.11 89.04 4.21 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.811 -0.632 . . . . 0.87 110.699 -179.5 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 26.8 mm -80.54 -27.82 11.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 115.794 -0.639 . . . . 1.01 112.419 -178.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 19.6 p30 -84.26 -12.34 54.88 Favored 'General case' 0 C--N 1.321 -0.659 0 O-C-N 122.242 -0.286 . . . . 1.02 111.482 -178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.2 42.44 94.28 Favored Glycine 0 N--CA 1.446 -0.664 0 C-N-CA 120.818 -0.706 . . . . 0.94 112.396 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.49 -15.1 14.69 Favored 'General case' 0 C--N 1.329 -0.321 0 O-C-N 122.516 -0.402 . . . . 0.95 111.203 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 96.83 -4.93 63.66 Favored Glycine 0 CA--C 1.523 0.587 0 C-N-CA 120.347 -0.93 . . . . 0.84 113.182 179.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 22.1 mt-30 -121.14 119.76 33.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 117.201 0.5 . . . . 1.26 111.296 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . . . . . . . . . 98.2 t -86.53 107.41 16.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 N-CA-C 109.126 -0.694 . . . . 0.69 109.126 178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -87.18 178.88 6.75 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.434 -0.348 . . . . 0.97 110.654 -179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.534 ' O ' HG23 ' A' ' 142' ' ' VAL . 2.4 t80 -52.39 -47.29 66.33 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.73 -0.668 . . . . 1.35 112.328 -178.617 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -62.11 -44.61 96.28 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 2.6 110.939 -178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -64.16 -32.22 73.71 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.837 -0.62 . . . . 0.66 111.592 -179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.41 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 30.0 t80 -77.96 -39.23 43.2 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.537 -0.301 . . . . 0.88 111.167 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 138' ' ' TYR . 90.6 t -60.76 -47.77 91.72 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 CA-C-O 121.309 0.576 . . . . 0.7 110.968 179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.513 ' O ' ' HB3' ' A' ' 147' ' ' ALA . 75.5 mt-30 -67.13 -16.66 64.46 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.623 -0.717 . . . . 1.5 111.911 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.645 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 0.8 OUTLIER -97.89 -39.56 8.93 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 112.428 0.529 . . . . 0.89 112.428 -178.762 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.586 ' SD ' HG23 ' B' ' 8' ' ' THR . 17.6 ttp -87.09 -48.81 7.77 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.085 -0.646 . . . . 1.47 112.043 -178.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 1.5 m -68.84 -35.32 76.8 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.827 0.346 . . . . 1.07 111.059 -179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . 0.513 ' HB3' ' O ' ' A' ' 143' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.534 0 CA-C-N 116.049 -0.523 . . . . 1.33 110.45 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.421 ' CE ' HD23 ' B' ' 4' ' ' LEU . 2.9 tpt . . . . . 0 N--CA 1.485 1.305 0 CA-C-O 121.715 0.769 . . . . 2.55 109.663 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.431 ' OD1' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -55.08 -48.26 73.77 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 114.634 -1.166 . . . . 1.88 111.424 -179.564 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.732 ' SG ' HD21 ' A' ' 32' ' ' LEU . 59.6 m -63.5 -31.68 72.91 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.251 -0.431 . . . . 0.64 110.958 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.728 HD13 ' HG2' ' A' ' 71' ' ' MET . 4.7 tp -78.17 -33.23 50.29 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.145 -0.48 . . . . 1.25 109.967 179.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.689 ' SG ' HG11 ' A' ' 91' ' ' VAL . 1.6 p -67.13 -27.55 67.41 Favored 'General case' 0 N--CA 1.452 -0.342 0 N-CA-C 108.133 -1.062 . . . . 0.61 108.133 178.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.757 HD12 ' CE2' ' A' ' 19' ' ' PHE . 1.0 OUTLIER -68.15 -39.89 82.02 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 N-CA-C 107.65 -1.241 . . . . 0.62 107.65 176.712 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.521 HG23 ' O ' ' B' ' 3' ' ' CYS . 10.9 t -63.62 -37.65 80.18 Favored 'Isoleucine or valine' 0 C--O 1.231 0.089 0 N-CA-C 108.562 -0.903 . . . . 0.57 108.562 177.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.586 HG23 ' SD ' ' A' ' 145' ' ' MET . 4.3 m -69.4 -41.43 76.44 Favored 'General case' 0 N--CA 1.455 -0.197 0 CA-C-N 115.834 -0.621 . . . . 0.63 110.07 178.249 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 25.9 m -62.02 -35.91 79.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.875 -0.602 . . . . 0.83 109.828 179.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.412 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 0.3 OUTLIER -72.01 -43.82 64.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.873 -0.603 . . . . 2.03 110.205 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . 0.519 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 10.0 tmtt? -60.5 -40.82 92.74 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.451 0.643 . . . . 1.32 109.488 178.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.41 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 70.1 t80 -72.71 -31.6 65.12 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.229 -0.896 . . . . 1.21 110.07 179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.786 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 16.5 ttp85 -87.07 -2.87 58.95 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 121.265 0.555 . . . . 3.1 110.705 179.5 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 50.3 t80 -102.78 -23.11 13.81 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.261 -0.882 . . . . 1.47 110.376 176.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.528 ' O ' ' HB2' ' B' ' 18' ' ' ASP . 2.2 tp60 -79.19 -21.17 46.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 114.64 -1.164 . . . . 1.41 111.455 -178.139 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -64.07 -24.72 67.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.051 0.453 . . . . 2.65 109.873 178.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -86.75 31.61 0.68 Allowed 'General case' 0 CA--C 1.535 0.379 0 CA-C-N 115.8 -0.636 . . . . 4.01 110.398 178.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . 0.528 ' HB2' ' O ' ' B' ' 15' ' ' GLN . 7.2 t70 -82.01 -53.83 5.8 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 112.83 0.678 . . . . 3.44 112.83 -178.234 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 1.5 m . . . . . 0 C--O 1.252 1.188 0 CA-C-O 119.131 -0.461 . . . . 4.48 111.26 -178.331 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' A' ' 5' ' ' THR . 58.3 tp . . . . . 0 N--CA 1.477 0.896 0 CA-C-O 120.891 0.377 . . . . 1.71 110.921 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.425 ' N ' ' HG ' ' A' ' 4' ' ' LEU . 0.1 OUTLIER -57.34 128.11 35.36 Favored 'General case' 0 N--CA 1.442 -0.832 0 CA-C-N 115.342 -0.844 . . . . 1.25 111.1 179.436 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 54.9 mt-10 -56.4 -39.79 73.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.983 -0.553 . . . . 1.97 110.7 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 11' ' ' GLU . 4.7 mp0 -57.53 -43.67 84.54 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.813 -0.63 . . . . 1.98 111.426 179.761 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -64.08 -44.29 92.83 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 109.616 -0.513 . . . . 1.62 109.616 178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 47.9 mm -54.56 -42.09 58.11 Favored 'Isoleucine or valine' 0 C--O 1.234 0.277 0 CA-C-N 116.277 -0.42 . . . . 1.13 110.643 177.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.495 ' O ' ' HB3' ' A' ' 13' ' ' LYS . . . -63.78 -38.36 90.82 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.241 -0.436 . . . . 0.74 110.177 179.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 7' ' ' GLU . 60.2 mt-10 -64.5 -46.03 84.72 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.972 -0.558 . . . . 1.57 109.873 178.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -62.86 -26.45 68.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.243 -0.435 . . . . 1.85 110.621 179.132 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.495 ' HB3' ' O ' ' A' ' 10' ' ' ALA . 5.9 ttpt -59.77 -41.74 91.75 Favored 'General case' 0 N--CA 1.451 -0.415 0 N-CA-C 109.291 -0.633 . . . . 1.5 109.291 176.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -61.0 -41.05 95.75 Favored 'General case' 0 N--CA 1.467 0.416 0 N-CA-C 109.068 -0.716 . . . . 1.64 109.068 178.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.516 ' O ' ' HG ' ' A' ' 18' ' ' LEU . . . -62.51 -48.68 78.49 Favored 'General case' 0 C--O 1.228 -0.063 0 CA-C-N 115.646 -0.707 . . . . 0.51 110.47 178.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -54.18 -42.61 69.86 Favored 'General case' 0 CA--C 1.517 -0.291 0 CA-C-O 121.193 0.52 . . . . 1.23 109.786 177.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 m -65.77 -28.05 68.74 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.42 -0.809 . . . . 0.77 111.843 -179.195 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 15' ' ' ALA . 1.9 pp -88.07 -39.08 14.9 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.315 -0.554 . . . . 1.43 111.464 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.776 ' CE2' HD12 ' B' ' 6' ' ' ILE . 24.1 m-85 -69.72 -40.68 76.08 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 118.543 0.611 . . . . 0.56 110.409 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -79.24 139.16 37.98 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.575 -0.739 . . . . 0.54 110.754 -179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.4 mmtm -138.32 26.48 2.63 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.071 -0.513 . . . . 0.73 110.909 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 10.3 p30 -130.41 -27.02 2.23 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.85 -0.34 . . . . 0.57 111.564 179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.41 8.01 56.56 Favored Glycine 0 N--CA 1.447 -0.582 0 C-N-CA 120.271 -0.966 . . . . 0.59 111.788 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -86.73 -32.5 20.41 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.693 0.283 . . . . 0.58 110.464 -179.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 105.81 -31.82 8.03 Favored Glycine 0 CA--C 1.52 0.353 0 C-N-CA 120.71 -0.757 . . . . 0.74 113.631 178.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -83.75 152.58 24.6 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 117.034 0.417 . . . . 0.47 111.45 -179.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.635 HG23 HD13 ' A' ' 32' ' ' LEU . 1.4 mp -91.33 122.35 42.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.949 -0.569 . . . . 0.41 110.903 -179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 76.8 p -103.18 175.54 5.44 Favored 'General case' 0 C--N 1.317 -0.842 0 N-CA-C 108.097 -1.075 . . . . 0.41 108.097 177.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -82.31 -29.57 31.01 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-O 121.343 0.592 . . . . 0.6 109.633 -179.429 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 11.2 tmtt? -73.7 -28.65 61.84 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 115.396 -0.82 . . . . 2.22 111.93 -178.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 28.9 mt-10 -71.86 -51.89 20.13 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 121.122 0.487 . . . . 0.42 110.661 -178.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.811 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.5 mp -69.01 -26.68 65.13 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.655 -0.702 . . . . 0.5 111.251 -179.523 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.58 -39.91 97.12 Favored Glycine 0 C--N 1.333 0.362 0 C-N-CA 121.01 -0.614 . . . . 0.5 111.754 179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.425 ' O ' ' HB3' ' A' ' 37' ' ' ARG . 0.6 OUTLIER -59.84 -42.48 93.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.596 -0.302 . . . . 0.6 110.886 179.351 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.9 t -70.0 -37.01 71.3 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.313 0 CA-C-O 120.956 0.408 . . . . 0.63 110.144 179.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 28.4 ttm -67.03 -15.39 63.69 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.439 0.638 . . . . 1.07 110.245 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.425 ' HB3' ' O ' ' A' ' 34' ' ' THR . 0.0 OUTLIER -85.14 -36.41 21.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.018 -0.992 . . . . 1.82 109.35 179.805 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -65.6 -18.86 65.64 Favored 'General case' 0 CA--C 1.528 0.119 0 CA-C-N 115.723 -0.671 . . . . 0.8 110.242 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.535 ' O ' ' HE2' ' A' ' 94' ' ' LYS . 89.7 mt -78.78 -0.21 29.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.724 -0.671 . . . . 0.86 111.294 -179.611 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 82.72 23.2 56.59 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.857 -0.687 . . . . 0.89 112.598 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -129.84 139.24 51.25 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 110.161 -0.311 . . . . 1.25 110.161 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 15.3 t-20 -119.43 94.59 48.56 Favored Pre-proline 0 N--CA 1.465 0.304 0 CA-C-O 120.737 0.303 . . . . 1.37 111.377 179.769 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 33.7 Cg_endo -87.45 149.45 7.65 Favored 'Trans proline' 0 N--CA 1.456 -0.729 0 C-N-CA 123.305 2.67 . . . . 0.74 111.736 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 41.3 p -96.88 -179.56 4.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 122.255 -0.278 . . . . 1.04 110.96 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 49' ' ' GLN . 5.3 mm-40 -51.03 -30.52 15.63 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 112.531 0.567 . . . . 2.18 112.531 179.766 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -71.99 -50.29 29.97 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.425 0.631 . . . . 0.63 110.33 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -70.76 -39.55 73.17 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.043 -0.98 . . . . 1.57 110.971 -178.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.45 ' O ' HG12 ' A' ' 52' ' ' ILE . 42.0 mt -64.26 -33.46 75.87 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 112.381 0.512 . . . . 0.64 112.381 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 45' ' ' GLU . 0.9 OUTLIER -84.13 -28.73 27.26 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.628 -0.878 . . . . 1.26 108.628 -179.184 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -63.78 -42.74 97.69 Favored 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 114.857 -1.065 . . . . 1.38 110.471 179.145 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.455 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 19.2 mmt -58.73 -42.15 88.08 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.808 -0.633 . . . . 1.38 109.938 178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.469 HG23 HG13 ' A' ' 63' ' ' ILE . 27.7 mm -69.8 -37.47 73.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 115.364 -0.835 . . . . 0.48 110.694 178.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.4 t30 -57.61 -33.0 67.77 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 116.385 -0.371 . . . . 1.4 111.234 -179.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 67.3 mm-40 -63.06 -33.98 76.61 Favored 'General case' 0 C--N 1.316 -0.881 0 CA-C-O 121.233 0.54 . . . . 2.84 109.666 177.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 90.6 t -87.26 -39.84 13.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.99 -0.55 . . . . 0.82 110.564 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -66.39 137.6 56.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.202 -0.908 . . . . 0.55 112.498 -178.4 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -135.16 -13.3 2.11 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 115.262 -0.881 . . . . 0.68 110.558 179.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.531 ' OD2' ' HB3' ' A' ' 60' ' ' ASN . 0.3 OUTLIER -85.92 -21.5 27.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.921 0.391 . . . . 0.74 110.424 -179.802 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 91.06 29.05 13.32 Favored Glycine 0 N--CA 1.446 -0.662 0 C-N-CA 120.99 -0.624 . . . . 0.9 112.759 179.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.531 ' HB3' ' OD2' ' A' ' 58' ' ' ASP . 0.1 OUTLIER -104.43 -28.4 11.36 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 117.211 0.506 . . . . 0.6 111.28 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 83.19 43.39 7.53 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.493 -0.861 . . . . 0.52 112.297 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.462 ' HB ' HD21 ' A' ' 60' ' ' ASN . 90.1 m -157.24 129.21 7.16 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 122.351 0.26 . . . . 0.57 110.328 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.469 HG13 HG23 ' A' ' 52' ' ' ILE . 11.3 mt -70.15 98.18 0.55 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 CA-C-N 115.908 -0.587 . . . . 0.46 109.6 178.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -103.49 -178.71 3.74 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.968 -0.56 . . . . 0.52 111.645 -178.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.471 ' HB3' ' HD3' ' A' ' 66' ' ' PRO . 24.4 t80 -68.71 -50.14 25.7 Favored Pre-proline 0 CA--C 1.537 0.478 0 N-CA-C 112.278 0.473 . . . . 1.15 112.278 -179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 65' ' ' PHE . 72.4 Cg_exo -48.96 -50.9 11.59 Favored 'Trans proline' 0 C--N 1.359 1.118 0 C-N-CA 121.822 1.681 . . . . 0.63 112.486 178.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -71.28 -25.7 62.56 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-N 116.684 -0.235 . . . . 0.51 111.21 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -63.96 -40.15 95.76 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.142 -0.481 . . . . 1.44 109.911 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.6 mt -62.59 -53.08 59.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 0.89 110.09 179.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 1.6 m -63.69 -44.44 93.66 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.333 -0.394 . . . . 0.74 111.293 179.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.736 ' HG2' HD13 ' B' ' 4' ' ' LEU . 5.5 ttp -60.54 -47.15 87.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.233 -0.439 . . . . 0.71 110.974 -179.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 tmm? -66.48 -46.41 76.4 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.974 -0.557 . . . . 1.69 110.952 -178.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -55.96 -32.95 64.31 Favored 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 120.82 0.343 . . . . 0.63 111.39 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 3.7 ttm180 -58.85 -37.74 77.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.526 -0.761 . . . . 1.45 111.204 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 78' ' ' ASP . 1.4 tppt? -93.29 -28.66 16.09 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-O 120.658 0.266 . . . . 0.86 111.22 -179.407 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 3.9 ttm -51.04 -41.12 59.64 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.968 -0.56 . . . . 1.68 110.195 179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 47.8 mtmt -121.82 46.77 2.01 Favored 'General case' 0 C--N 1.319 -0.724 0 CA-C-N 115.37 -0.832 . . . . 1.95 109.59 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . 0.555 ' HB2' ' HA ' ' A' ' 75' ' ' LYS . 56.8 t0 -71.86 99.15 2.14 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-N 115.125 -0.943 . . . . 1.41 111.094 -179.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 19.0 p -140.6 17.62 2.36 Favored 'General case' 0 C--N 1.314 -0.972 0 CA-C-O 122.214 1.007 . . . . 1.45 108.523 178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -140.26 30.11 1.98 Allowed 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 113.996 -1.456 . . . . 1.78 108.111 179.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.449 ' HB3' HG13 ' A' ' 85' ' ' ILE . 2.5 m -36.71 104.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 113.576 -1.647 . . . . 1.1 114.307 -177.744 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -98.24 -68.56 0.8 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.621 -0.718 . . . . 1.86 109.42 178.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -106.33 -12.97 15.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.352 -0.84 . . . . 2.7 109.812 178.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.434 ' HG2' ' HA ' ' A' ' 81' ' ' SER . 2.9 mm-40 -52.2 -49.23 64.29 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-N 115.047 -0.979 . . . . 1.27 112.181 -179.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.65 ' O ' ' HB2' ' A' ' 89' ' ' PHE . 6.9 mt -56.91 -41.99 77.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.319 0 O-C-N 123.256 0.348 . . . . 1.5 110.978 179.351 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -67.17 -52.39 42.04 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 123.28 0.363 . . . . 2.57 111.166 -178.467 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.63 -55.81 17.17 Favored 'General case' 0 CA--C 1.536 0.427 0 CA-C-N 116.117 -0.492 . . . . 1.47 111.667 179.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.27 -25.84 67.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 122.077 -0.39 . . . . 0.41 111.452 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.65 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 1.0 OUTLIER -77.26 -37.16 53.62 Favored 'General case' 0 C--O 1.216 -0.684 0 C-N-CA 120.937 -0.305 . . . . 0.75 110.679 -178.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 43.8 mtp180 -71.98 -19.42 61.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.991 0.424 . . . . 2.35 110.494 179.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.822 HG21 ' SG ' ' B' ' 5' ' ' CYS . 68.5 t -86.34 -36.55 10.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 CA-C-N 115.877 -0.601 . . . . 0.47 110.182 178.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -82.91 -34.85 26.53 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.545 -0.298 . . . . 0.47 110.828 178.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -93.23 88.58 6.09 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.172 0.511 . . . . 0.8 109.935 -179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.535 ' HE2' ' O ' ' A' ' 39' ' ' LEU . 27.8 tttm -75.88 -23.59 55.61 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.646 -0.706 . . . . 1.7 111.25 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.1 p30 -88.38 -17.06 31.35 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.436 -0.347 . . . . 0.67 111.835 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.12 36.12 92.56 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.442 -0.885 . . . . 0.72 111.967 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.422 ' ND2' ' HB2' ' A' ' 99' ' ' TYR . 9.7 p-10 -98.74 -8.95 25.2 Favored 'General case' 0 C--O 1.234 0.289 0 CA-C-O 120.862 0.363 . . . . 0.72 110.357 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 81.35 19.13 67.26 Favored Glycine 0 N--CA 1.448 -0.523 0 CA-C-N 115.816 -0.629 . . . . 0.58 112.78 179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.422 ' HB2' ' ND2' ' A' ' 97' ' ' ASN . 39.7 m-85 -138.13 113.41 9.39 Favored 'General case' 0 C--O 1.24 0.558 0 CA-C-O 120.782 0.325 . . . . 1.57 111.271 -179.492 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 61.6 mt -94.81 133.37 35.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 N-CA-C 109.229 -0.656 . . . . 0.69 109.229 179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.56 ' C ' ' H ' ' A' ' 103' ' ' ALA . 12.9 p -147.07 -163.67 1.82 Allowed 'General case' 0 C--N 1.319 -0.721 0 N-CA-C 109.023 -0.732 . . . . 1.14 109.023 179.486 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -75.22 19.93 0.15 Allowed 'General case' 0 CA--C 1.536 0.404 0 CA-C-O 122.302 1.049 . . . . 1.3 110.25 178.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.56 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -88.88 -81.87 0.26 Allowed 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 113.343 -1.753 . . . . 0.93 110.741 -179.666 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.35 -21.29 42.58 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.839 -0.619 . . . . 0.83 111.929 -178.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.57 -43.97 96.7 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.897 0.38 . . . . 0.63 110.243 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.3 ttm105 -63.74 -34.97 79.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.829 -0.623 . . . . 1.18 110.221 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 45.7 t60 -64.02 -52.37 59.82 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-N 115.625 -0.716 . . . . 0.83 110.29 -179.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 46.5 t -66.28 -46.51 86.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.482 -0.326 . . . . 0.53 111.712 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.63 -41.91 64.16 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 111.813 0.301 . . . . 0.86 111.813 -179.347 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 5.3 m -79.41 -28.54 41.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.612 0.244 . . . . 0.67 111.465 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -68.55 -35.23 77.14 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 120.759 0.314 . . . . 0.88 111.418 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 94.2 mt -67.65 -21.75 65.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.913 0.387 . . . . 0.93 110.624 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 87.16 27.0 29.42 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 121.053 -0.594 . . . . 0.89 112.225 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.4 ' HB3' HD12 ' A' ' 116' ' ' LEU . 4.1 mm-40 -87.66 173.76 8.84 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-O 121.108 0.48 . . . . 1.61 111.445 -179.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.519 ' H ' ' HD2' ' A' ' 115' ' ' LYS . 2.0 mptt -99.11 77.07 2.14 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.743 -0.662 . . . . 1.18 111.265 -178.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.4 HD12 ' HB3' ' A' ' 114' ' ' GLU . 3.3 mp -134.07 126.62 30.49 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 109.893 -0.41 . . . . 1.27 109.893 178.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.445 ' N ' ' HB2' ' A' ' 120' ' ' GLU . 0.0 OUTLIER -94.05 176.19 6.42 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 116.345 -0.388 . . . . 1.04 110.104 179.34 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -58.36 -37.54 75.41 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 108.852 -0.796 . . . . 1.38 108.852 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -67.94 -35.21 78.03 Favored 'General case' 0 N--CA 1.454 -0.225 0 CA-C-N 115.084 -0.962 . . . . 2.33 110.352 178.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.445 ' HB2' ' N ' ' A' ' 117' ' ' THR . 4.3 mm-40 -69.88 -41.19 75.1 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 116.362 -0.381 . . . . 1.86 110.085 -179.488 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.59 ' O ' ' HB ' ' A' ' 125' ' ' ILE . 79.8 t -59.3 -42.32 86.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-N 116.022 -0.535 . . . . 0.76 110.287 179.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . 0.425 ' O ' HG22 ' A' ' 125' ' ' ILE . 11.2 t70 -71.17 -37.24 72.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.948 -0.569 . . . . 0.96 111.114 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.59 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 3.1 tp10 -64.49 -44.75 90.01 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.167 -0.47 . . . . 1.2 110.964 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.703 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 22.1 ttt -73.02 -39.28 66.14 Favored 'General case' 0 C--O 1.222 -0.375 0 CA-C-O 120.715 0.293 . . . . 0.76 110.738 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . 0.59 ' HB ' ' O ' ' A' ' 121' ' ' VAL . 0.2 OUTLIER -53.03 -18.21 1.36 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 113.303 0.853 . . . . 0.92 113.303 -177.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.59 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 13.2 mtm105 -94.31 15.6 17.1 Favored 'General case' 0 C--N 1.327 -0.384 0 O-C-N 121.903 -0.498 . . . . 0.94 111.444 -179.757 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.41 -40.77 29.23 Favored 'General case' 0 C--O 1.234 0.239 0 N-CA-C 109.549 -0.538 . . . . 2.04 109.549 179.18 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.81 -21.04 13.26 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.955 -0.566 . . . . 0.96 110.896 178.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -70.35 91.13 0.73 Allowed 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 121.116 0.484 . . . . 0.87 110.417 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 49.2 mm -86.03 -32.32 6.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.536 -0.756 . . . . 1.01 111.274 -178.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 13.5 p30 -70.33 -28.25 65.01 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.804 -0.634 . . . . 1.02 111.135 -178.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 81.09 41.18 10.56 Favored Glycine 0 CA--C 1.508 -0.406 0 N-CA-C 111.236 -0.745 . . . . 0.94 111.236 179.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -113.06 -11.77 13.29 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.671 -0.265 . . . . 0.95 111.337 -178.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 86.66 13.78 66.69 Favored Glycine 0 C--N 1.334 0.445 0 C-N-CA 121.225 -0.512 . . . . 0.84 113.66 178.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.527 ' HG2' ' HB3' ' A' ' 101' ' ' SER . 39.5 mt-30 -130.75 107.54 9.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 117.002 0.401 . . . . 1.26 110.946 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.586 HG23 HD13 ' A' ' 125' ' ' ILE . 66.7 t -76.46 103.15 3.63 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 N-CA-C 108.847 -0.797 . . . . 0.69 108.847 178.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 26.1 p30 -82.55 179.48 7.77 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.709 -0.397 . . . . 0.97 110.441 -179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . . . . . . . . . 5.8 t80 -56.16 -45.99 79.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.067 -0.515 . . . . 1.35 111.361 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 22.5 tp10 -62.88 -46.19 89.01 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.109 0.481 . . . . 2.6 110.91 -179.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -64.59 -39.22 93.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.912 -0.586 . . . . 0.66 110.061 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.408 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 54.3 t80 -67.6 -48.15 67.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.722 -0.672 . . . . 0.88 111.415 -179.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . . . . . . . . . 51.0 t -61.88 -41.75 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.305 0 CA-C-N 116.321 -0.399 . . . . 0.7 111.665 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 16.5 mt-30 -66.74 -12.84 60.2 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.147 -0.479 . . . . 1.5 111.975 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.594 ' SD ' ' HB3' ' B' ' 15' ' ' GLN . 1.9 tmm? -109.69 -36.78 5.84 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.361 -0.381 . . . . 0.89 111.689 -178.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.562 ' SD ' HG22 ' B' ' 8' ' ' THR . 0.0 OUTLIER -82.24 -39.76 22.58 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 112.047 0.388 . . . . 1.47 112.047 -178.595 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . . . . . . . . . 2.3 m -99.5 -10.59 21.95 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.012 0.434 . . . . 1.07 111.8 -179.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 CA-C-N 116.561 -0.29 . . . . 1.33 110.758 -179.876 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.455 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.538 0 CA-C-O 121.273 0.559 . . . . 2.55 110.355 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.428 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -16.23 -77.47 0.01 OUTLIER 'General case' 0 CA--C 1.549 0.933 0 N-CA-C 116.471 2.026 . . . . 1.88 116.471 -178.507 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.811 ' SG ' HD21 ' A' ' 32' ' ' LEU . 99.7 m -63.33 -38.71 92.22 Favored 'General case' 0 N--CA 1.466 0.331 0 O-C-N 121.208 -0.933 . . . . 0.64 112.905 -177.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.736 HD13 ' HG2' ' A' ' 71' ' ' MET . 9.9 tp -70.49 -35.3 73.17 Favored 'General case' 0 C--N 1.313 -0.991 0 N-CA-C 111.611 0.226 . . . . 1.25 111.611 -179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.822 ' SG ' HG21 ' A' ' 91' ' ' VAL . 6.7 p -67.76 -27.24 66.6 Favored 'General case' 0 C--N 1.326 -0.455 0 N-CA-C 108.778 -0.823 . . . . 0.61 108.778 178.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.776 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.1 OUTLIER -65.49 -39.98 86.81 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.319 0 N-CA-C 107.403 -1.332 . . . . 0.62 107.403 176.724 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.461 HG23 ' O ' ' B' ' 3' ' ' CYS . 23.3 t -65.68 -40.84 89.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 114.951 -1.022 . . . . 0.57 109.427 178.579 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.562 HG22 ' SD ' ' A' ' 145' ' ' MET . 1.5 m -67.23 -39.93 86.28 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.982 0.42 . . . . 0.63 110.354 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . . . . . . . . . 89.1 m -61.88 -36.04 80.08 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.469 0.652 . . . . 0.83 109.812 178.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -39.99 72.09 Favored 'General case' 0 N--CA 1.447 -0.586 0 CA-C-N 115.511 -0.768 . . . . 2.03 109.634 179.443 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 tmtt? -62.19 -47.91 82.36 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 108.84 -0.8 . . . . 1.32 108.84 178.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.408 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 81.9 t80 -60.49 -41.54 94.48 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.103 -0.953 . . . . 1.21 110.343 179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.703 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 10.5 ttt180 -77.44 -10.42 59.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.876 0.369 . . . . 3.1 111.213 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 22.9 t80 -94.5 -19.94 20.1 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-O 121.713 0.768 . . . . 1.47 108.986 178.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.594 ' HB3' ' SD ' ' A' ' 144' ' ' MET . 0.1 OUTLIER -84.06 -17.2 41.1 Favored 'General case' 0 N--CA 1.448 -0.538 0 CA-C-N 114.902 -1.045 . . . . 1.41 111.054 -179.032 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -46.94 85.5 Favored 'General case' 0 C--O 1.235 0.319 0 N-CA-C 109.451 -0.574 . . . . 2.65 109.451 177.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -76.82 77.32 3.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.837 0.827 . . . . 4.01 109.921 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -128.31 -35.74 1.97 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.788 -1.097 . . . . 3.44 109.694 179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.609 -0.71 . . . . 4.48 109.97 179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.487 1.418 0 N-CA-C 109.633 -0.506 . . . . 1.71 109.633 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -62.07 137.68 58.28 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 121.145 0.498 . . . . 1.25 111.064 179.025 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -58.21 -41.01 83.1 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.635 -0.711 . . . . 1.97 111.368 -179.155 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -56.05 -49.12 74.63 Favored 'General case' 0 CA--C 1.515 -0.377 0 N-CA-C 109.127 -0.694 . . . . 1.98 109.127 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -59.82 -48.48 81.53 Favored 'General case' 0 C--O 1.217 -0.614 0 CA-C-N 115.49 -0.777 . . . . 1.62 110.146 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 29.2 mm -52.9 -38.88 29.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.872 0.368 . . . . 1.13 110.695 177.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -73.28 -43.88 60.24 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 116.219 -0.446 . . . . 0.74 110.77 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 54.7 mt-10 -63.46 -52.25 62.17 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.173 0.511 . . . . 1.57 110.359 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -59.83 -29.44 68.27 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.977 -0.556 . . . . 1.85 111.673 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.405 ' HB3' ' HE2' ' A' ' 13' ' ' LYS . 25.8 ttpt -60.5 -41.98 95.41 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.269 0.557 . . . . 1.5 110.309 177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -63.08 -41.0 99.33 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.106 -0.702 . . . . 1.64 109.106 178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.12 -47.24 85.5 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.368 -0.833 . . . . 0.51 110.09 179.494 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -55.29 -42.13 73.21 Favored 'General case' 0 C--O 1.223 -0.332 0 CA-C-O 121.065 0.46 . . . . 1.23 109.996 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.6 m -68.9 -15.11 63.4 Favored 'General case' 0 C--O 1.24 0.594 0 CA-C-N 115.566 -0.743 . . . . 0.77 110.925 179.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 18.0 tp -88.97 -48.15 7.64 Favored 'General case' 0 C--O 1.225 -0.207 0 N-CA-C 109.301 -0.629 . . . . 1.43 109.301 178.697 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.685 ' CE2' HD12 ' B' ' 6' ' ' ILE . 27.8 m-85 -68.4 -44.13 75.73 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 116.281 -0.418 . . . . 0.56 110.689 179.488 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -80.07 138.66 37.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.853 -0.612 . . . . 0.54 111.266 -178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.9 mmtm -137.73 -6.83 1.69 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.824 0.305 . . . . 0.73 111.824 179.408 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 18.1 p30 -96.29 -13.31 23.45 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.642 -0.423 . . . . 0.57 110.549 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.98 11.71 80.88 Favored Glycine 0 N--CA 1.442 -0.924 0 C-N-CA 120.937 -0.649 . . . . 0.59 112.433 179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -83.8 -30.34 26.64 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.981 0.419 . . . . 0.58 109.937 -179.41 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 100.11 -21.8 42.99 Favored Glycine 0 N--CA 1.45 -0.419 0 CA-C-N 115.903 -0.59 . . . . 0.74 113.329 178.461 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.402 ' H ' ' CG ' ' A' ' 24' ' ' ASP . 1.0 OUTLIER -92.1 140.55 29.52 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.073 0.463 . . . . 0.47 111.241 -179.069 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.597 ' CG2' ' HB ' ' A' ' 63' ' ' ILE . 0.8 OUTLIER -77.77 127.95 38.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.571 -0.741 . . . . 0.41 110.384 179.816 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 74.6 p -116.86 178.35 4.37 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.567 -0.531 . . . . 0.41 109.567 178.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 0.42 ' CG2' ' HB3' ' A' ' 48' ' ' LEU . 0.2 OUTLIER -83.68 -28.7 28.16 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 121.061 0.458 . . . . 0.6 110.402 -179.186 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.47 ' HD3' ' O ' ' A' ' 30' ' ' LYS . 6.8 tmtt? -78.32 -27.94 47.25 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.176 -0.465 . . . . 2.22 110.926 -178.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.445 ' HB3' ' O ' ' A' ' 19' ' ' PHE . 41.0 mt-10 -75.54 -54.83 6.37 Favored 'General case' 0 N--CA 1.449 -0.499 0 O-C-N 122.328 -0.233 . . . . 0.42 110.851 -179.58 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.691 HD21 ' SG ' ' B' ' 3' ' ' CYS . 8.6 mp -60.74 -37.56 82.18 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 121.188 0.518 . . . . 0.5 111.195 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -56.08 -35.5 64.68 Favored Glycine 0 C--N 1.337 0.632 0 CA-C-N 115.6 -0.727 . . . . 0.5 111.641 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 93.5 m -60.56 -46.32 90.64 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-O 120.86 0.362 . . . . 0.6 110.043 179.135 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.423 ' O ' ' HG ' ' A' ' 39' ' ' LEU . 11.0 t -66.72 -41.64 88.31 Favored 'Isoleucine or valine' 0 C--N 1.347 0.472 0 O-C-N 121.669 -0.644 . . . . 0.63 110.843 179.55 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 35.7 ttm -68.22 -11.13 58.79 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 114.984 -1.007 . . . . 1.07 111.01 179.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 11.0 ttp180 -85.88 -42.73 13.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.478 -0.564 . . . . 1.82 109.478 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -72.16 -15.05 61.96 Favored 'General case' 0 C--O 1.24 0.559 0 CA-C-N 115.746 -0.661 . . . . 0.8 110.062 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 35' ' ' VAL . 17.7 mt -69.3 -14.65 63.06 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.857 -0.611 . . . . 0.86 110.681 178.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.551 ' HA3' ' HE2' ' A' ' 94' ' ' LYS . . . 98.87 17.9 26.57 Favored Glycine 0 N--CA 1.448 -0.543 0 C-N-CA 121.286 -0.483 . . . . 0.89 112.695 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -129.57 156.68 43.8 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.763 0.316 . . . . 1.25 110.422 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -128.5 106.99 19.04 Favored Pre-proline 0 C--N 1.319 -0.759 0 CA-C-N 116.392 -0.367 . . . . 1.37 110.77 -179.076 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 73.7 Cg_endo -91.48 138.5 2.18 Favored 'Trans proline' 0 N--CA 1.454 -0.823 0 C-N-CA 122.657 2.238 . . . . 0.74 113.057 179.808 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 37.4 p -87.25 176.01 7.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 1.04 110.031 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -52.78 -38.25 60.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.919 0.39 . . . . 2.18 110.717 179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -69.78 -39.22 76.75 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.304 -0.407 . . . . 0.63 110.708 179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.76 -41.42 71.77 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 121.567 0.699 . . . . 1.57 110.14 179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.42 ' HB3' ' CG2' ' A' ' 29' ' ' THR . 23.3 mt -63.89 -23.8 67.49 Favored 'General case' 0 CA--C 1.52 -0.179 0 CA-C-N 115.44 -0.8 . . . . 0.64 111.22 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.453 HE21 ' HB2' ' A' ' 49' ' ' GLN . 0.0 OUTLIER -88.01 -37.53 16.26 Favored 'General case' 0 N--CA 1.443 -0.794 0 N-CA-C 109.101 -0.703 . . . . 1.26 109.101 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -60.25 -42.61 95.66 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 114.43 -1.259 . . . . 1.38 110.483 179.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' MET . . . . . 0.608 ' SD ' ' HB2' ' B' ' 1' ' ' MET . 10.6 mmt -63.59 -51.76 63.92 Favored 'General case' 0 C--O 1.237 0.445 0 CA-C-N 115.705 -0.68 . . . . 1.38 111.197 -179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 31.1 mm -62.45 -38.42 81.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 115.887 -0.597 . . . . 0.48 110.532 179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -52.6 -35.46 54.34 Favored 'General case' 0 N--CA 1.471 0.593 0 O-C-N 124.038 0.836 . . . . 1.4 111.905 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -58.42 -36.58 73.83 Favored 'General case' 0 N--CA 1.454 -0.233 0 CA-C-N 115.96 -0.564 . . . . 2.84 111.16 -179.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.434 HG11 HG23 ' A' ' 63' ' ' ILE . 14.9 t -97.59 -43.83 12.26 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 CA-C-N 116.105 -0.498 . . . . 0.82 111.205 -179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.466 ' CG ' ' H ' ' A' ' 61' ' ' GLY . 12.3 t70 -68.3 103.29 1.56 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.113 0.483 . . . . 0.55 111.26 -179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -111.11 -5.15 14.81 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.53 0.681 . . . . 0.68 110.032 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -85.2 -22.42 28.73 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.677 -0.692 . . . . 0.74 110.151 179.179 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 83.87 50.28 4.46 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 116.135 -0.484 . . . . 0.9 112.556 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -126.65 -25.98 3.32 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-O 120.741 0.305 . . . . 0.6 110.407 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.466 ' H ' ' CG ' ' A' ' 56' ' ' ASP . . . 85.35 40.86 7.67 Favored Glycine 0 N--CA 1.454 -0.144 0 C-N-CA 120.999 -0.619 . . . . 0.52 112.062 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 49.1 m -155.25 130.28 9.44 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.477 0.18 . . . . 0.57 110.915 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.597 ' HB ' ' CG2' ' A' ' 27' ' ' ILE . 16.3 mt -77.21 95.2 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.314 0 N-CA-C 108.383 -0.969 . . . . 0.46 108.383 178.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 68' ' ' PHE . 0.9 OUTLIER -98.11 177.61 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.52 111.184 -178.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -62.34 -50.63 78.5 Favored Pre-proline 0 CA--C 1.531 0.241 0 N-CA-C 112.942 0.719 . . . . 1.15 112.942 -178.554 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.06 -52.32 9.21 Favored 'Trans proline' 0 C--N 1.359 1.097 0 C-N-CA 122.059 1.839 . . . . 0.63 112.157 179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -67.17 -28.38 68.06 Favored 'General case' 0 C--O 1.216 -0.695 0 CA-C-O 121.165 0.507 . . . . 0.51 110.134 -179.528 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.417 ' HB2' ' O ' ' A' ' 64' ' ' ASP . 31.8 t80 -63.92 -36.17 83.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.83 -0.623 . . . . 1.44 110.215 -179.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.7 mt -70.54 -53.5 15.88 Favored 'General case' 0 C--N 1.318 -0.793 0 CA-C-N 115.741 -0.663 . . . . 0.89 109.433 178.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' THR . . . . . . . . . . . . . 3.1 m -56.14 -49.31 74.28 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-N 114.963 -1.017 . . . . 0.74 110.909 178.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' MET . . . . . 0.638 ' CG ' HD22 ' B' ' 4' ' ' LEU . 0.9 OUTLIER -62.9 -39.43 94.5 Favored 'General case' 0 N--CA 1.443 -0.824 0 CA-C-N 115.23 -0.895 . . . . 0.71 111.567 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 22.2 ttm -67.57 -43.59 80.24 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.242 -0.436 . . . . 1.69 110.421 -179.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -56.3 -30.93 63.16 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-O 121.64 0.733 . . . . 0.63 109.923 178.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -79.2 -2.14 39.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.277 -0.874 . . . . 1.45 111.309 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.631 ' HB2' HD11 ' B' ' 4' ' ' LEU . 0.0 OUTLIER -129.14 -9.23 4.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.184 0.516 . . . . 0.86 111.735 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' MET . . . . . . . . . . . . . 32.0 ttm -72.05 -40.18 68.56 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.155 0.502 . . . . 1.68 109.857 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -142.46 54.5 1.43 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.99 -0.55 . . . . 1.95 110.298 178.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -68.81 117.7 10.83 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.109 0.48 . . . . 1.41 111.076 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.444 HG22 HG23 ' A' ' 146' ' ' THR . 26.6 p -130.55 11.63 5.32 Favored 'General case' 0 C--N 1.314 -0.974 0 CA-C-O 121.72 0.772 . . . . 1.45 109.001 179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -125.06 20.75 8.22 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-N 115.023 -0.99 . . . . 1.78 109.566 -178.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' SER . . . . . 0.466 ' HB3' HG13 ' A' ' 85' ' ' ILE . 0.7 OUTLIER -38.66 103.96 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 115.939 1.829 . . . . 1.1 115.939 -177.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 5.8 tp10 -105.25 -69.47 0.81 Allowed 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 107.705 -1.22 . . . . 1.86 107.705 175.183 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 26.1 mt-10 -110.99 -7.04 14.57 Favored 'General case' 0 C--O 1.225 -0.222 0 N-CA-C 109.268 -0.642 . . . . 2.7 109.268 178.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -58.69 -58.14 9.92 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.571 -0.74 . . . . 1.27 111.835 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.624 ' CD1' ' HA ' ' A' ' 142' ' ' VAL . 6.3 mt -63.1 -31.18 51.7 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.543 0 CA-C-N 115.827 -0.624 . . . . 1.5 110.02 179.531 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.41 ' HD3' ' OH ' ' A' ' 138' ' ' TYR . 3.2 tpt180 -65.59 -44.65 85.97 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.259 -0.645 . . . . 2.57 109.259 -179.804 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.423 ' HG3' ' HB3' ' B' ' 1' ' ' MET . 0.0 OUTLIER -50.18 -53.71 25.98 Favored 'General case' 0 N--CA 1.441 -0.899 0 CA-C-N 115.893 -0.594 . . . . 1.47 110.743 178.738 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -71.97 -24.11 61.54 Favored 'General case' 0 N--CA 1.472 0.626 0 N-CA-C 112.25 0.463 . . . . 0.41 112.25 -179.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.425 ' HB2' ' O ' ' A' ' 85' ' ' ILE . 2.3 t80 -72.13 -39.38 68.88 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 108.252 -1.018 . . . . 0.75 108.252 -179.24 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.52 -28.81 63.1 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 114.858 -1.065 . . . . 2.35 110.54 179.268 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.753 HG21 ' SG ' ' B' ' 5' ' ' CYS . 32.3 t -73.74 -40.31 53.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.342 -0.39 . . . . 0.47 110.828 179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -79.54 -36.47 38.33 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 120.961 0.41 . . . . 0.47 110.647 178.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.19 89.46 7.66 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.954 -0.566 . . . . 0.8 109.517 -179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LYS . . . . . 0.551 ' HE2' ' HA3' ' A' ' 40' ' ' GLY . 23.6 tttm -71.6 -37.62 70.95 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.255 -0.884 . . . . 1.7 112.893 -177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 19.9 p30 -70.83 -12.8 61.76 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 111.8 0.296 . . . . 0.67 111.8 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 65.93 24.27 71.47 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 121.048 -0.596 . . . . 0.72 112.53 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . 0.576 HD21 ' HB2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -85.55 -21.79 28.4 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 120.648 0.261 . . . . 0.72 110.545 -179.381 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 93.91 30.36 8.99 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.317 -0.944 . . . . 0.58 112.964 179.47 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.576 ' HB2' HD21 ' A' ' 97' ' ' ASN . 13.9 m-85 -150.62 111.96 4.41 Favored 'General case' 0 C--O 1.242 0.676 0 CA-C-O 121.439 0.638 . . . . 1.57 111.359 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ILE . . . . . . . . . . . . . 43.6 mt -87.41 133.86 29.15 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.264 -0.88 . . . . 0.69 110.987 179.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 103' ' ' ALA . 0.0 OUTLIER -150.09 -173.67 4.5 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.685 -0.857 . . . . 1.14 108.685 179.026 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -72.96 5.74 3.1 Favored 'General case' 0 C--O 1.224 -0.257 0 CA-C-O 122.631 1.205 . . . . 1.3 109.387 178.338 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 101' ' ' SER . . . -71.67 -74.62 0.15 Allowed 'General case' 0 C--N 1.311 -1.087 0 CA-C-N 112.955 -1.929 . . . . 0.93 108.223 178.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.55 ' O ' HG23 ' A' ' 108' ' ' VAL . 0.4 OUTLIER -88.41 -21.25 24.38 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 113.44 0.904 . . . . 0.83 113.44 -179.574 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 19.1 tp -60.07 -41.26 92.03 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 120.096 -0.642 . . . . 0.63 109.374 179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.5 ttm105 -58.5 -45.64 88.33 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.857 -0.61 . . . . 1.18 110.098 179.084 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' HIS . . . . . . . . . . . . . 46.1 t60 -56.77 -50.16 73.12 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.368 -0.833 . . . . 0.83 111.403 179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.55 HG23 ' O ' ' A' ' 104' ' ' GLU . 3.2 t -69.59 -39.51 78.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 N-CA-C 111.833 0.308 . . . . 0.53 111.833 -178.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.47 -46.41 86.67 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.452 0.168 . . . . 0.86 111.08 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 11.3 m -72.93 -27.6 61.94 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.339 -0.391 . . . . 0.67 110.948 179.617 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -72.19 -39.11 68.87 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 111.829 0.307 . . . . 0.88 111.829 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 27.0 mt -71.7 -10.91 60.48 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 120.622 0.249 . . . . 0.93 111.67 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 78.65 36.05 30.54 Favored Glycine 0 CA--C 1.507 -0.439 0 C-N-CA 120.659 -0.781 . . . . 0.89 112.141 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . 0.478 ' HB3' ' CD1' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -87.23 166.47 14.9 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.165 0.507 . . . . 1.61 111.045 -179.194 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' LYS . . . . . 0.44 ' HD2' ' OE1' ' A' ' 114' ' ' GLU . 0.6 OUTLIER -93.97 64.79 3.41 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.516 -0.765 . . . . 1.18 110.255 -179.309 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.478 ' CD1' ' HB3' ' A' ' 114' ' ' GLU . 5.2 mp -138.11 125.49 21.85 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.786 0.327 . . . . 1.27 111.849 -179.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' THR . . . . . 0.547 ' O ' HG23 ' A' ' 121' ' ' VAL . 0.2 OUTLIER -92.66 -176.49 4.28 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.584 -0.735 . . . . 1.04 110.279 178.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -56.36 -47.03 79.7 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 111.895 0.331 . . . . 1.38 111.895 -179.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -68.91 -23.38 64.17 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.355 -0.384 . . . . 2.33 111.478 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -72.81 -33.5 66.27 Favored 'General case' 0 N--CA 1.446 -0.627 0 CA-C-O 121.59 0.709 . . . . 1.86 109.093 179.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 117' ' ' THR . 21.3 t -65.05 -44.09 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.348 -0.842 . . . . 0.76 109.425 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.64 -47.09 85.23 Favored 'General case' 0 CA--C 1.517 -0.317 0 N-CA-C 109.502 -0.555 . . . . 0.96 109.502 179.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.488 ' HA ' ' NH2' ' A' ' 126' ' ' ARG . 16.9 tp10 -56.83 -48.96 76.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.836 -0.62 . . . . 1.2 111.302 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' MET . . . . . 0.777 ' SD ' ' HG3' ' B' ' 13' ' ' ARG . 24.0 ttt -65.19 -45.92 82.87 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 116.23 -0.441 . . . . 0.76 111.352 -178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ILE . . . . . . . . . . . . . 3.0 mm -51.54 -28.79 8.96 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.54 0 N-CA-C 112.345 0.498 . . . . 0.92 112.345 -178.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' ARG . . . . . 0.488 ' NH2' ' HA ' ' A' ' 123' ' ' GLU . 23.8 mtm105 -85.22 19.55 2.21 Favored 'General case' 0 CA--C 1.531 0.213 0 N-CA-C 112.639 0.607 . . . . 0.94 112.639 -178.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' GLU . . . . . 0.484 ' HG2' ' N ' ' A' ' 128' ' ' ALA . 0.1 OUTLIER -94.76 -48.89 5.85 Favored 'General case' 0 N--CA 1.447 -0.599 0 C-N-CA 120.655 -0.418 . . . . 2.04 110.852 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.748 ' HB2' ' HG3' ' A' ' 144' ' ' MET . . . -91.87 -26.72 18.35 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.341 -0.39 . . . . 0.96 110.787 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 27.1 t0 -70.61 108.53 4.41 Favored 'General case' 0 C--N 1.329 -0.312 0 O-C-N 123.569 0.543 . . . . 0.87 109.686 179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ILE . . . . . . . . . . . . . 31.2 mm -102.27 -30.55 3.01 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 115.998 -0.546 . . . . 1.01 111.926 -177.399 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . 0.481 ' OD2' ' HB3' ' A' ' 133' ' ' ASP . 6.2 p-10 -79.81 -11.6 59.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.57 0.7 . . . . 1.02 109.298 179.269 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . 66.73 59.32 7.23 Favored Glycine 0 N--CA 1.447 -0.626 0 CA-C-N 114.946 -1.025 . . . . 0.94 113.381 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ASP . . . . . 0.481 ' HB3' ' OD2' ' A' ' 131' ' ' ASP . 2.5 p-10 -118.54 -5.71 10.73 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.752 0.276 . . . . 0.95 110.732 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.55 -1.33 78.81 Favored Glycine 0 N--CA 1.46 0.265 0 C-N-CA 120.94 -0.647 . . . . 0.84 113.136 178.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -125.09 141.71 51.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-O 121.028 0.442 . . . . 1.26 110.851 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' VAL . . . . . 0.407 HG21 ' OH ' ' B' ' 12' ' ' TYR . 58.3 t -99.66 113.14 34.02 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 N-CA-C 108.843 -0.799 . . . . 0.69 108.843 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' ASN . . . . . . . . . . . . . 25.2 p30 -86.72 -179.99 6.67 Favored 'General case' 0 C--N 1.32 -0.697 0 C-N-CA 120.465 -0.494 . . . . 0.97 110.848 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' TYR . . . . . 0.557 ' O ' HG23 ' A' ' 142' ' ' VAL . 1.9 t80 -55.99 -50.21 71.47 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.031 -0.531 . . . . 1.35 112.289 -178.636 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -66.77 -37.26 84.24 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.336 0.495 . . . . 2.6 112.336 -178.262 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -64.44 -40.79 96.4 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.092 0.472 . . . . 0.66 109.868 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' PHE . . . . . 0.553 ' CE1' ' CD1' ' B' ' 12' ' ' TYR . 18.7 t80 -71.61 -39.69 70.32 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.971 -0.559 . . . . 0.88 110.347 179.049 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' VAL . . . . . 0.624 ' HA ' ' CD1' ' A' ' 85' ' ' ILE . 32.5 t -52.09 -51.72 28.47 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 121.502 0.668 . . . . 0.7 110.869 179.151 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -63.55 -44.01 95.4 Favored 'General case' 0 N--CA 1.441 -0.896 0 CA-C-N 115.224 -0.898 . . . . 1.5 111.2 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' MET . . . . . 0.748 ' HG3' ' HB2' ' A' ' 128' ' ' ALA . 2.3 mmm -62.72 -36.62 83.58 Favored 'General case' 0 N--CA 1.468 0.435 0 CA-C-N 115.887 -0.597 . . . . 0.89 111.922 -179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . 0.576 ' SD ' HG23 ' B' ' 8' ' ' THR . 0.0 OUTLIER -75.33 -39.78 59.04 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.042 -0.526 . . . . 1.47 110.215 -179.858 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' THR . . . . . 0.444 HG23 HG22 ' A' ' 79' ' ' THR . 90.4 m -66.78 -58.36 5.22 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.071 -0.513 . . . . 1.07 111.996 -179.356 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.322 -0.592 0 CA-C-O 121.195 0.522 . . . . 1.33 111.329 -179.698 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.608 ' HB2' ' SD ' ' A' ' 51' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.479 0.977 0 N-CA-C 108.884 -0.784 . . . . 2.55 108.884 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ASP . . . . . 0.536 ' CG ' HD23 ' A' ' 32' ' ' LEU . 0.0 OUTLIER -28.16 -72.31 0.03 OUTLIER 'General case' 0 C--N 1.316 -0.866 0 N-CA-C 115.687 1.736 . . . . 1.88 115.687 178.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' CYS . . . . . 0.691 ' SG ' HD21 ' A' ' 32' ' ' LEU . 79.1 m -65.7 -26.76 67.92 Favored 'General case' 0 CA--C 1.553 1.06 0 N-CA-C 112.88 0.696 . . . . 0.64 112.88 -177.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.638 HD22 ' CG ' ' A' ' 71' ' ' MET . 6.4 tp -81.5 -34.61 31.17 Favored 'General case' 0 C--N 1.317 -0.815 0 C-N-CA 123.07 0.548 . . . . 1.25 110.411 -179.377 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' CYS . . . . . 0.753 ' SG ' HG21 ' A' ' 91' ' ' VAL . 16.8 p -69.62 -25.31 63.88 Favored 'General case' 0 N--CA 1.441 -0.907 0 N-CA-C 107.859 -1.163 . . . . 0.61 107.859 177.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ILE . . . . . 0.685 HD12 ' CE2' ' A' ' 19' ' ' PHE . 0.6 OUTLIER -65.14 -43.32 95.65 Favored 'Isoleucine or valine' 0 C--O 1.242 0.663 0 N-CA-C 106.999 -1.482 . . . . 0.62 106.999 176.039 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' VAL . . . . . 0.43 HG23 ' O ' ' B' ' 3' ' ' CYS . 23.5 t -61.08 -43.89 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 CA-C-N 115.201 -0.909 . . . . 0.57 109.67 177.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' THR . . . . . 0.576 HG23 ' SD ' ' A' ' 145' ' ' MET . 8.3 m -63.67 -43.51 96.48 Favored 'General case' 0 N--CA 1.45 -0.428 0 N-CA-C 109.603 -0.517 . . . . 0.63 109.603 178.726 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' THR . . . . . 0.468 ' O ' ' HB2' ' B' ' 13' ' ' ARG . 49.5 m -58.52 -37.74 76.26 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.367 0.603 . . . . 0.83 109.786 179.291 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LYS . . . . . 0.448 ' HE2' ' HA ' ' B' ' 10' ' ' LYS . 0.0 OUTLIER -70.38 -40.99 73.66 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-N 116.035 -0.53 . . . . 2.03 110.762 179.842 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LYS . . . . . . . . . . . . . 3.9 tmtt? -65.9 -45.17 82.97 Favored 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 108.96 -0.756 . . . . 1.32 108.96 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' TYR . . . . . 0.553 ' CD1' ' CE1' ' A' ' 141' ' ' PHE . 79.9 t80 -63.52 -44.09 95.26 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.179 0.514 . . . . 1.21 110.626 179.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.777 ' HG3' ' SD ' ' A' ' 124' ' ' MET . 8.2 ttp85 -72.5 -20.23 61.4 Favored 'General case' 0 C--N 1.341 0.228 0 CA-C-N 115.767 -0.651 . . . . 3.1 111.24 -179.45 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -91.47 -14.38 30.58 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.19 0.519 . . . . 1.47 110.642 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.467 ' HA ' ' NE2' ' B' ' 15' ' ' GLN . 1.7 tp60 -76.38 -23.77 54.1 Favored 'General case' 0 N--CA 1.443 -0.819 0 CA-C-N 115.45 -0.795 . . . . 1.41 110.745 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.19 -23.91 67.48 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.36 0.6 . . . . 2.65 109.685 178.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -73.87 72.65 1.58 Allowed 'General case' 0 C--O 1.238 0.493 0 CA-C-O 121.659 0.742 . . . . 4.01 109.834 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' ASP . . . . . . . . . . . . . 14.0 t0 -137.9 -43.64 0.52 Allowed 'General case' 0 C--N 1.315 -0.919 0 CA-C-N 115.65 -0.705 . . . . 3.44 110.089 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' THR . . . . . . . . . . . . . 30.1 m . . . . . 0 C--O 1.242 0.696 0 CA-C-N 115.078 -0.965 . . . . 4.48 108.987 177.878 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 202' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 203' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 204' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_